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 Set 1.1: A 434 TYR OH : rot -150:sc= -0.851 USER MOD Set 1.2: A 457 GLN : amide:sc= -0.046 X(o=-0.9,f=-0.89) USER MOD Set 2.1: A 420 CYS SG : rot 180:sc= -1.63 USER MOD Set 2.2: A 459 MET CE :methyl -130:sc= -0.467 (180deg=-1.04) USER MOD Single : A 410 SER OG : rot 67:sc= 1.07 USER MOD Single : A 415 TYR OH : rot -27:sc= 1.11 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.0639 USER MOD Single : A 422 THR OG1 : rot -55:sc= 1.15 USER MOD Single : A 428 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.7!) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.0929 USER MOD Single : A 439 ASN : amide:sc= -0.35 K(o=-0.35,f=-2.5!) USER MOD Single : A 440 LYS NZ :NH3+ 157:sc= 0.513 (180deg=0.0136) USER MOD Single : A 443 MET CE :methyl 176:sc= -1.39 (180deg=-1.53) USER MOD Single : A 445 TYR OH : rot 59:sc= 1.07 USER MOD Single : A 447 SER OG : rot -140:sc= 0 USER MOD Single : A 448 HIS : no HD1:sc= -0.109 K(o=-0.11,f=-0.85) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 468 HIS : no HD1:sc= -2.31! K(o=-2.3!,f=-0.99) USER MOD Single : A 470 SER OG : rot 3:sc= 0.759! USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 474 ASN : amide:sc= -0.422 K(o=-0.42,f=-2.2) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 TYR OH : rot 180:sc= -0.246 USER MOD Single : A 477 TYR OH : rot 180:sc= 0 USER MOD Single : A 479 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 483 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 406 37.948 -6.305 1.521 1.00 0.00 N ATOM 2 CA GLY A 406 37.090 -7.384 0.954 1.00 0.00 C ATOM 3 C GLY A 406 37.871 -8.702 0.934 1.00 0.00 C ATOM 4 O GLY A 406 38.990 -8.764 1.403 1.00 0.00 O ATOM 0 HA2 GLY A 406 36.185 -7.495 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 406 36.776 -7.120 -0.056 1.00 0.00 H new ATOM 10 N PRO A 407 37.253 -9.719 0.388 1.00 0.00 N ATOM 11 CA PRO A 407 37.906 -11.048 0.308 1.00 0.00 C ATOM 12 C PRO A 407 39.012 -11.035 -0.750 1.00 0.00 C ATOM 13 O PRO A 407 40.101 -11.527 -0.529 1.00 0.00 O ATOM 14 CB PRO A 407 36.772 -11.982 -0.103 1.00 0.00 C ATOM 15 CG PRO A 407 35.780 -11.105 -0.800 1.00 0.00 C ATOM 16 CD PRO A 407 35.906 -9.730 -0.200 1.00 0.00 C ATOM 0 HA PRO A 407 38.381 -11.349 1.242 1.00 0.00 H new ATOM 0 HB2 PRO A 407 37.131 -12.772 -0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 407 36.327 -12.468 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 407 35.977 -11.077 -1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 407 34.768 -11.490 -0.672 1.00 0.00 H new ATOM 0 HD2 PRO A 407 35.795 -8.953 -0.956 1.00 0.00 H new ATOM 0 HD3 PRO A 407 35.140 -9.552 0.555 1.00 0.00 H new ATOM 24 N LEU A 408 38.741 -10.474 -1.898 1.00 0.00 N ATOM 25 CA LEU A 408 39.775 -10.425 -2.972 1.00 0.00 C ATOM 26 C LEU A 408 40.178 -8.974 -3.250 1.00 0.00 C ATOM 27 O LEU A 408 39.355 -8.079 -3.237 1.00 0.00 O ATOM 28 CB LEU A 408 39.100 -11.039 -4.200 1.00 0.00 C ATOM 29 CG LEU A 408 40.102 -11.102 -5.356 1.00 0.00 C ATOM 30 CD1 LEU A 408 39.755 -12.281 -6.266 1.00 0.00 C ATOM 31 CD2 LEU A 408 40.036 -9.800 -6.159 1.00 0.00 C ATOM 0 H LEU A 408 37.847 -10.047 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 408 40.684 -10.960 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 408 38.736 -12.039 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 408 38.234 -10.443 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 408 41.109 -11.233 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 408 40.468 -12.327 -7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 408 39.801 -13.208 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 408 38.749 -12.150 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 408 40.749 -9.844 -6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 408 39.030 -9.669 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 408 40.282 -8.959 -5.510 1.00 0.00 H new ATOM 43 N GLY A 409 41.436 -8.737 -3.504 1.00 0.00 N ATOM 44 CA GLY A 409 41.894 -7.346 -3.785 1.00 0.00 C ATOM 45 C GLY A 409 43.104 -7.384 -4.719 1.00 0.00 C ATOM 46 O GLY A 409 43.050 -7.941 -5.797 1.00 0.00 O ATOM 0 H GLY A 409 42.168 -9.447 -3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 409 41.088 -6.772 -4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 409 42.156 -6.843 -2.854 1.00 0.00 H new ATOM 50 N SER A 410 44.198 -6.797 -4.312 1.00 0.00 N ATOM 51 CA SER A 410 45.415 -6.798 -5.175 1.00 0.00 C ATOM 52 C SER A 410 46.641 -6.361 -4.363 1.00 0.00 C ATOM 53 O SER A 410 47.228 -5.332 -4.635 1.00 0.00 O ATOM 54 CB SER A 410 45.114 -5.790 -6.283 1.00 0.00 C ATOM 55 OG SER A 410 45.138 -4.475 -5.741 1.00 0.00 O ATOM 0 H SER A 410 44.301 -6.316 -3.418 1.00 0.00 H new ATOM 0 HA SER A 410 45.638 -7.787 -5.575 1.00 0.00 H new ATOM 0 HB2 SER A 410 45.850 -5.880 -7.082 1.00 0.00 H new ATOM 0 HB3 SER A 410 44.139 -5.997 -6.723 1.00 0.00 H new ATOM 0 HG SER A 410 46.051 -4.253 -5.461 1.00 0.00 H new ATOM 61 N PRO A 411 46.988 -7.162 -3.388 1.00 0.00 N ATOM 62 CA PRO A 411 48.158 -6.848 -2.530 1.00 0.00 C ATOM 63 C PRO A 411 49.461 -7.064 -3.306 1.00 0.00 C ATOM 64 O PRO A 411 49.767 -8.161 -3.730 1.00 0.00 O ATOM 65 CB PRO A 411 48.035 -7.840 -1.377 1.00 0.00 C ATOM 66 CG PRO A 411 47.246 -8.983 -1.931 1.00 0.00 C ATOM 67 CD PRO A 411 46.338 -8.419 -2.993 1.00 0.00 C ATOM 0 HA PRO A 411 48.177 -5.812 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 411 49.016 -8.168 -1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 411 47.531 -7.390 -0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 411 47.908 -9.740 -2.352 1.00 0.00 H new ATOM 0 HG3 PRO A 411 46.666 -9.468 -1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 411 46.241 -9.101 -3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 411 45.334 -8.245 -2.607 1.00 0.00 H new ATOM 75 N GLU A 412 50.229 -6.023 -3.494 1.00 0.00 N ATOM 76 CA GLU A 412 51.513 -6.164 -4.243 1.00 0.00 C ATOM 77 C GLU A 412 52.518 -6.978 -3.424 1.00 0.00 C ATOM 78 O GLU A 412 52.613 -6.834 -2.221 1.00 0.00 O ATOM 79 CB GLU A 412 52.016 -4.734 -4.442 1.00 0.00 C ATOM 80 CG GLU A 412 53.251 -4.747 -5.346 1.00 0.00 C ATOM 81 CD GLU A 412 52.848 -5.183 -6.756 1.00 0.00 C ATOM 82 OE1 GLU A 412 51.776 -4.796 -7.192 1.00 0.00 O ATOM 83 OE2 GLU A 412 53.619 -5.898 -7.376 1.00 0.00 O ATOM 0 H GLU A 412 50.023 -5.081 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 412 51.382 -6.685 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 412 51.233 -4.121 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 412 52.262 -4.287 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 412 53.703 -3.756 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 412 54.002 -5.428 -4.944 1.00 0.00 H new ATOM 90 N PHE A 413 53.269 -7.831 -4.068 1.00 0.00 N ATOM 91 CA PHE A 413 54.271 -8.656 -3.331 1.00 0.00 C ATOM 92 C PHE A 413 55.621 -8.615 -4.056 1.00 0.00 C ATOM 93 O PHE A 413 55.922 -7.678 -4.769 1.00 0.00 O ATOM 94 CB PHE A 413 53.696 -10.078 -3.337 1.00 0.00 C ATOM 95 CG PHE A 413 53.652 -10.620 -1.926 1.00 0.00 C ATOM 96 CD1 PHE A 413 54.761 -10.478 -1.081 1.00 0.00 C ATOM 97 CD2 PHE A 413 52.499 -11.266 -1.464 1.00 0.00 C ATOM 98 CE1 PHE A 413 54.715 -10.983 0.225 1.00 0.00 C ATOM 99 CE2 PHE A 413 52.454 -11.771 -0.158 1.00 0.00 C ATOM 100 CZ PHE A 413 53.562 -11.629 0.686 1.00 0.00 C ATOM 0 H PHE A 413 53.232 -7.993 -5.074 1.00 0.00 H new ATOM 0 HA PHE A 413 54.444 -8.293 -2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 413 52.694 -10.073 -3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 413 54.308 -10.725 -3.966 1.00 0.00 H new ATOM 0 HD1 PHE A 413 55.651 -9.979 -1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 413 51.644 -11.375 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 413 55.570 -10.874 0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 413 51.565 -12.270 0.198 1.00 0.00 H new ATOM 0 HZ PHE A 413 53.527 -12.018 1.693 1.00 0.00 H new ATOM 110 N GLY A 414 56.433 -9.624 -3.879 1.00 0.00 N ATOM 111 CA GLY A 414 57.761 -9.642 -4.558 1.00 0.00 C ATOM 112 C GLY A 414 58.777 -8.864 -3.721 1.00 0.00 C ATOM 113 O GLY A 414 58.563 -8.603 -2.553 1.00 0.00 O ATOM 0 H GLY A 414 56.234 -10.435 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 414 58.097 -10.670 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 414 57.679 -9.200 -5.551 1.00 0.00 H new ATOM 117 N TYR A 415 59.883 -8.495 -4.311 1.00 0.00 N ATOM 118 CA TYR A 415 60.922 -7.735 -3.557 1.00 0.00 C ATOM 119 C TYR A 415 62.012 -7.255 -4.518 1.00 0.00 C ATOM 120 O TYR A 415 62.432 -6.114 -4.481 1.00 0.00 O ATOM 121 CB TYR A 415 61.496 -8.736 -2.549 1.00 0.00 C ATOM 122 CG TYR A 415 61.552 -8.103 -1.179 1.00 0.00 C ATOM 123 CD1 TYR A 415 62.021 -6.793 -1.034 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.136 -8.828 -0.055 1.00 0.00 C ATOM 125 CE1 TYR A 415 62.076 -6.207 0.236 1.00 0.00 C ATOM 126 CE2 TYR A 415 61.189 -8.240 1.215 1.00 0.00 C ATOM 127 CZ TYR A 415 61.660 -6.929 1.360 1.00 0.00 C ATOM 128 OH TYR A 415 61.714 -6.352 2.612 1.00 0.00 O ATOM 0 H TYR A 415 60.112 -8.688 -5.286 1.00 0.00 H new ATOM 0 HA TYR A 415 60.516 -6.852 -3.063 1.00 0.00 H new ATOM 0 HB2 TYR A 415 60.878 -9.633 -2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 415 62.494 -9.046 -2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 415 62.340 -6.234 -1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 415 60.775 -9.840 -0.168 1.00 0.00 H new ATOM 0 HE1 TYR A 415 62.440 -5.196 0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 415 60.867 -8.797 2.082 1.00 0.00 H new ATOM 0 HH TYR A 415 62.423 -5.676 2.630 1.00 0.00 H new ATOM 138 N TRP A 416 62.464 -8.121 -5.381 1.00 0.00 N ATOM 139 CA TRP A 416 63.521 -7.737 -6.362 1.00 0.00 C ATOM 140 C TRP A 416 62.880 -6.980 -7.531 1.00 0.00 C ATOM 141 O TRP A 416 62.969 -7.391 -8.672 1.00 0.00 O ATOM 142 CB TRP A 416 64.106 -9.069 -6.832 1.00 0.00 C ATOM 143 CG TRP A 416 64.709 -9.767 -5.658 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.287 -10.945 -5.141 1.00 0.00 C ATOM 145 CD2 TRP A 416 65.827 -9.338 -4.840 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.082 -11.263 -4.054 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.048 -10.301 -3.829 1.00 0.00 C ATOM 148 CE3 TRP A 416 66.663 -8.214 -4.882 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.068 -10.149 -2.888 1.00 0.00 C ATOM 150 CZ3 TRP A 416 67.688 -8.058 -3.942 1.00 0.00 C ATOM 151 CH2 TRP A 416 67.893 -9.021 -2.946 1.00 0.00 C ATOM 0 H TRP A 416 62.145 -9.087 -5.451 1.00 0.00 H new ATOM 0 HA TRP A 416 64.285 -7.085 -5.938 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.328 -9.687 -7.280 1.00 0.00 H new ATOM 0 HB3 TRP A 416 64.861 -8.900 -7.600 1.00 0.00 H new ATOM 0 HD1 TRP A 416 63.466 -11.538 -5.515 1.00 0.00 H new ATOM 0 HE1 TRP A 416 64.969 -12.104 -3.488 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.515 -7.464 -5.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.219 -10.896 -2.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.326 -7.188 -3.985 1.00 0.00 H new ATOM 0 HH2 TRP A 416 68.686 -8.893 -2.224 1.00 0.00 H new ATOM 162 N ILE A 417 62.218 -5.889 -7.249 1.00 0.00 N ATOM 163 CA ILE A 417 61.547 -5.114 -8.335 1.00 0.00 C ATOM 164 C ILE A 417 62.199 -3.739 -8.512 1.00 0.00 C ATOM 165 O ILE A 417 63.325 -3.515 -8.112 1.00 0.00 O ATOM 166 CB ILE A 417 60.095 -4.960 -7.867 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.049 -4.114 -6.590 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.503 -6.340 -7.576 1.00 0.00 C ATOM 169 CD1 ILE A 417 58.595 -3.797 -6.239 1.00 0.00 C ATOM 0 H ILE A 417 62.113 -5.500 -6.312 1.00 0.00 H new ATOM 0 HA ILE A 417 61.623 -5.617 -9.299 1.00 0.00 H new ATOM 0 HB ILE A 417 59.517 -4.469 -8.650 1.00 0.00 H new ATOM 0 HG12 ILE A 417 60.524 -4.651 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 417 60.609 -3.190 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.471 -6.230 -7.243 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.530 -6.946 -8.482 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.086 -6.829 -6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 417 58.563 -3.195 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 417 58.136 -3.243 -7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.049 -4.726 -6.078 1.00 0.00 H new ATOM 181 N THR A 418 61.489 -2.820 -9.111 1.00 0.00 N ATOM 182 CA THR A 418 62.045 -1.454 -9.323 1.00 0.00 C ATOM 183 C THR A 418 61.311 -0.441 -8.437 1.00 0.00 C ATOM 184 O THR A 418 60.325 0.148 -8.836 1.00 0.00 O ATOM 185 CB THR A 418 61.802 -1.146 -10.804 1.00 0.00 C ATOM 186 OG1 THR A 418 60.673 -1.878 -11.269 1.00 0.00 O ATOM 187 CG2 THR A 418 63.036 -1.532 -11.622 1.00 0.00 C ATOM 0 H THR A 418 60.542 -2.959 -9.464 1.00 0.00 H new ATOM 0 HA THR A 418 63.103 -1.397 -9.065 1.00 0.00 H new ATOM 0 HB THR A 418 61.612 -0.079 -10.920 1.00 0.00 H new ATOM 0 HG1 THR A 418 60.520 -1.677 -12.216 1.00 0.00 H new ATOM 0 HG21 THR A 418 62.858 -1.311 -12.675 1.00 0.00 H new ATOM 0 HG22 THR A 418 63.897 -0.963 -11.272 1.00 0.00 H new ATOM 0 HG23 THR A 418 63.233 -2.597 -11.503 1.00 0.00 H new ATOM 195 N CYS A 419 61.791 -0.236 -7.240 1.00 0.00 N ATOM 196 CA CYS A 419 61.137 0.739 -6.312 1.00 0.00 C ATOM 197 C CYS A 419 60.930 2.090 -7.011 1.00 0.00 C ATOM 198 O CYS A 419 60.038 2.845 -6.677 1.00 0.00 O ATOM 199 CB CYS A 419 62.113 0.848 -5.136 1.00 0.00 C ATOM 200 SG CYS A 419 63.411 2.065 -5.474 1.00 0.00 S ATOM 0 H CYS A 419 62.614 -0.704 -6.860 1.00 0.00 H new ATOM 0 HA CYS A 419 60.146 0.423 -5.987 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.570 1.132 -4.234 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.564 -0.125 -4.943 1.00 0.00 H new ATOM 205 N CYS A 420 61.750 2.390 -7.981 1.00 0.00 N ATOM 206 CA CYS A 420 61.611 3.681 -8.713 1.00 0.00 C ATOM 207 C CYS A 420 61.411 3.401 -10.210 1.00 0.00 C ATOM 208 O CYS A 420 61.281 2.261 -10.606 1.00 0.00 O ATOM 209 CB CYS A 420 62.932 4.416 -8.462 1.00 0.00 C ATOM 210 SG CYS A 420 62.609 5.979 -7.607 1.00 0.00 S ATOM 0 H CYS A 420 62.514 1.794 -8.299 1.00 0.00 H new ATOM 0 HA CYS A 420 60.756 4.270 -8.382 1.00 0.00 H new ATOM 0 HB2 CYS A 420 63.597 3.794 -7.863 1.00 0.00 H new ATOM 0 HB3 CYS A 420 63.439 4.606 -9.408 1.00 0.00 H new ATOM 0 HG CYS A 420 63.732 6.598 -7.394 1.00 0.00 H new ATOM 216 N PRO A 421 61.388 4.448 -10.999 1.00 0.00 N ATOM 217 CA PRO A 421 61.196 4.280 -12.458 1.00 0.00 C ATOM 218 C PRO A 421 62.506 3.847 -13.131 1.00 0.00 C ATOM 219 O PRO A 421 62.550 3.605 -14.320 1.00 0.00 O ATOM 220 CB PRO A 421 60.768 5.666 -12.925 1.00 0.00 C ATOM 221 CG PRO A 421 61.314 6.621 -11.908 1.00 0.00 C ATOM 222 CD PRO A 421 61.536 5.859 -10.624 1.00 0.00 C ATOM 0 HA PRO A 421 60.466 3.510 -12.708 1.00 0.00 H new ATOM 0 HB2 PRO A 421 61.161 5.884 -13.918 1.00 0.00 H new ATOM 0 HB3 PRO A 421 59.682 5.740 -12.989 1.00 0.00 H new ATOM 0 HG2 PRO A 421 62.249 7.057 -12.259 1.00 0.00 H new ATOM 0 HG3 PRO A 421 60.619 7.445 -11.747 1.00 0.00 H new ATOM 0 HD2 PRO A 421 62.525 6.058 -10.211 1.00 0.00 H new ATOM 0 HD3 PRO A 421 60.810 6.145 -9.863 1.00 0.00 H new ATOM 230 N THR A 422 63.569 3.740 -12.376 1.00 0.00 N ATOM 231 CA THR A 422 64.872 3.316 -12.967 1.00 0.00 C ATOM 232 C THR A 422 65.693 2.557 -11.920 1.00 0.00 C ATOM 233 O THR A 422 66.906 2.636 -11.888 1.00 0.00 O ATOM 234 CB THR A 422 65.577 4.616 -13.366 1.00 0.00 C ATOM 235 OG1 THR A 422 66.879 4.316 -13.851 1.00 0.00 O ATOM 236 CG2 THR A 422 65.684 5.544 -12.154 1.00 0.00 C ATOM 0 H THR A 422 63.590 3.929 -11.374 1.00 0.00 H new ATOM 0 HA THR A 422 64.744 2.651 -13.821 1.00 0.00 H new ATOM 0 HB THR A 422 65.001 5.113 -14.146 1.00 0.00 H new ATOM 0 HG1 THR A 422 67.367 3.797 -13.178 1.00 0.00 H new ATOM 0 HG21 THR A 422 66.186 6.466 -12.445 1.00 0.00 H new ATOM 0 HG22 THR A 422 64.685 5.776 -11.784 1.00 0.00 H new ATOM 0 HG23 THR A 422 66.257 5.052 -11.368 1.00 0.00 H new ATOM 244 N CYS A 423 65.035 1.822 -11.061 1.00 0.00 N ATOM 245 CA CYS A 423 65.765 1.055 -10.010 1.00 0.00 C ATOM 246 C CYS A 423 66.263 -0.280 -10.574 1.00 0.00 C ATOM 247 O CYS A 423 65.765 -0.774 -11.566 1.00 0.00 O ATOM 248 CB CYS A 423 64.727 0.825 -8.904 1.00 0.00 C ATOM 249 SG CYS A 423 65.420 -0.247 -7.615 1.00 0.00 S ATOM 0 H CYS A 423 64.020 1.720 -11.043 1.00 0.00 H new ATOM 0 HA CYS A 423 66.644 1.585 -9.643 1.00 0.00 H new ATOM 0 HB2 CYS A 423 64.427 1.779 -8.472 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.831 0.369 -9.324 1.00 0.00 H new ATOM 254 N ASP A 424 67.240 -0.866 -9.937 1.00 0.00 N ATOM 255 CA ASP A 424 67.778 -2.172 -10.415 1.00 0.00 C ATOM 256 C ASP A 424 68.210 -3.017 -9.214 1.00 0.00 C ATOM 257 O ASP A 424 69.271 -3.610 -9.207 1.00 0.00 O ATOM 258 CB ASP A 424 68.982 -1.813 -11.285 1.00 0.00 C ATOM 259 CG ASP A 424 68.551 -1.746 -12.751 1.00 0.00 C ATOM 260 OD1 ASP A 424 68.179 -2.777 -13.287 1.00 0.00 O ATOM 261 OD2 ASP A 424 68.599 -0.664 -13.313 1.00 0.00 O ATOM 0 H ASP A 424 67.691 -0.494 -9.101 1.00 0.00 H new ATOM 0 HA ASP A 424 67.042 -2.752 -10.971 1.00 0.00 H new ATOM 0 HB2 ASP A 424 69.397 -0.855 -10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 424 69.769 -2.557 -11.160 1.00 0.00 H new ATOM 266 N VAL A 425 67.394 -3.064 -8.194 1.00 0.00 N ATOM 267 CA VAL A 425 67.748 -3.858 -6.982 1.00 0.00 C ATOM 268 C VAL A 425 67.608 -5.356 -7.267 1.00 0.00 C ATOM 269 O VAL A 425 66.527 -5.864 -7.489 1.00 0.00 O ATOM 270 CB VAL A 425 66.754 -3.399 -5.906 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.676 -4.429 -4.773 1.00 0.00 C ATOM 272 CG2 VAL A 425 67.224 -2.060 -5.335 1.00 0.00 C ATOM 0 H VAL A 425 66.495 -2.585 -8.149 1.00 0.00 H new ATOM 0 HA VAL A 425 68.780 -3.703 -6.667 1.00 0.00 H new ATOM 0 HB VAL A 425 65.766 -3.295 -6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 425 65.967 -4.087 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.346 -5.387 -5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.660 -4.546 -4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.524 -1.725 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 425 68.214 -2.180 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.269 -1.320 -6.134 1.00 0.00 H new ATOM 282 N ASP A 426 68.705 -6.062 -7.251 1.00 0.00 N ATOM 283 CA ASP A 426 68.667 -7.529 -7.506 1.00 0.00 C ATOM 284 C ASP A 426 69.718 -8.221 -6.638 1.00 0.00 C ATOM 285 O ASP A 426 70.840 -7.766 -6.531 1.00 0.00 O ATOM 286 CB ASP A 426 69.003 -7.686 -8.990 1.00 0.00 C ATOM 287 CG ASP A 426 67.713 -7.875 -9.789 1.00 0.00 C ATOM 288 OD1 ASP A 426 67.121 -8.937 -9.677 1.00 0.00 O ATOM 289 OD2 ASP A 426 67.339 -6.957 -10.499 1.00 0.00 O ATOM 0 H ASP A 426 69.634 -5.681 -7.071 1.00 0.00 H new ATOM 0 HA ASP A 426 67.701 -7.974 -7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.539 -6.807 -9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 426 69.662 -8.542 -9.136 1.00 0.00 H new ATOM 294 N ILE A 427 69.367 -9.311 -6.009 1.00 0.00 N ATOM 295 CA ILE A 427 70.353 -10.019 -5.140 1.00 0.00 C ATOM 296 C ILE A 427 71.645 -10.301 -5.913 1.00 0.00 C ATOM 297 O ILE A 427 72.719 -10.340 -5.346 1.00 0.00 O ATOM 298 CB ILE A 427 69.667 -11.319 -4.725 1.00 0.00 C ATOM 299 CG1 ILE A 427 70.548 -12.047 -3.711 1.00 0.00 C ATOM 300 CG2 ILE A 427 69.448 -12.211 -5.951 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.394 -11.394 -2.337 1.00 0.00 C ATOM 0 H ILE A 427 68.443 -9.741 -6.059 1.00 0.00 H new ATOM 0 HA ILE A 427 70.636 -9.422 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 427 68.700 -11.091 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 427 70.267 -13.099 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 427 71.590 -12.011 -4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 427 68.958 -13.136 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 427 68.820 -11.689 -6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 427 70.410 -12.444 -6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.023 -11.914 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.697 -10.348 -2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.353 -11.453 -2.021 1.00 0.00 H new ATOM 313 N ASN A 428 71.552 -10.482 -7.205 1.00 0.00 N ATOM 314 CA ASN A 428 72.783 -10.742 -8.009 1.00 0.00 C ATOM 315 C ASN A 428 73.798 -9.622 -7.765 1.00 0.00 C ATOM 316 O ASN A 428 74.993 -9.810 -7.883 1.00 0.00 O ATOM 317 CB ASN A 428 72.317 -10.738 -9.467 1.00 0.00 C ATOM 318 CG ASN A 428 73.087 -11.803 -10.253 1.00 0.00 C ATOM 319 OD1 ASN A 428 73.448 -12.830 -9.713 1.00 0.00 O ATOM 320 ND2 ASN A 428 73.354 -11.599 -11.514 1.00 0.00 N ATOM 0 H ASN A 428 70.681 -10.461 -7.736 1.00 0.00 H new ATOM 0 HA ASN A 428 73.266 -11.683 -7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 428 71.246 -10.936 -9.518 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.481 -9.755 -9.909 1.00 0.00 H new ATOM 0 HD21 ASN A 428 73.866 -12.302 -12.047 1.00 0.00 H new ATOM 0 HD22 ASN A 428 73.051 -10.737 -11.967 1.00 0.00 H new ATOM 327 N THR A 429 73.319 -8.458 -7.412 1.00 0.00 N ATOM 328 CA THR A 429 74.236 -7.315 -7.142 1.00 0.00 C ATOM 329 C THR A 429 73.819 -6.597 -5.852 1.00 0.00 C ATOM 330 O THR A 429 74.318 -5.534 -5.537 1.00 0.00 O ATOM 331 CB THR A 429 74.078 -6.387 -8.348 1.00 0.00 C ATOM 332 OG1 THR A 429 72.706 -6.062 -8.516 1.00 0.00 O ATOM 333 CG2 THR A 429 74.597 -7.087 -9.605 1.00 0.00 C ATOM 0 H THR A 429 72.327 -8.250 -7.299 1.00 0.00 H new ATOM 0 HA THR A 429 75.269 -7.636 -7.008 1.00 0.00 H new ATOM 0 HB THR A 429 74.650 -5.474 -8.182 1.00 0.00 H new ATOM 0 HG1 THR A 429 72.603 -5.466 -9.287 1.00 0.00 H new ATOM 0 HG21 THR A 429 74.484 -6.425 -10.463 1.00 0.00 H new ATOM 0 HG22 THR A 429 75.650 -7.335 -9.475 1.00 0.00 H new ATOM 0 HG23 THR A 429 74.027 -8.001 -9.774 1.00 0.00 H new ATOM 341 N TRP A 430 72.908 -7.167 -5.103 1.00 0.00 N ATOM 342 CA TRP A 430 72.465 -6.512 -3.837 1.00 0.00 C ATOM 343 C TRP A 430 72.990 -7.279 -2.622 1.00 0.00 C ATOM 344 O TRP A 430 73.429 -8.407 -2.728 1.00 0.00 O ATOM 345 CB TRP A 430 70.941 -6.573 -3.849 1.00 0.00 C ATOM 346 CG TRP A 430 70.418 -5.740 -2.737 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.159 -4.413 -2.766 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.101 -6.192 -1.420 1.00 0.00 C ATOM 349 NE1 TRP A 430 69.694 -4.032 -1.514 1.00 0.00 N ATOM 350 CE2 TRP A 430 69.645 -5.110 -0.647 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.176 -7.449 -0.848 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.268 -5.281 0.685 1.00 0.00 C ATOM 353 CZ3 TRP A 430 69.802 -7.644 0.491 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.347 -6.558 1.259 1.00 0.00 C ATOM 0 H TRP A 430 72.454 -8.056 -5.314 1.00 0.00 H new ATOM 0 HA TRP A 430 72.839 -5.490 -3.773 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.557 -6.212 -4.803 1.00 0.00 H new ATOM 0 HB3 TRP A 430 70.604 -7.604 -3.739 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.291 -3.761 -3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.423 -3.080 -1.265 1.00 0.00 H new ATOM 0 HE3 TRP A 430 70.524 -8.286 -1.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 68.920 -4.441 1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 69.864 -8.628 0.931 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.059 -6.707 2.289 1.00 0.00 H new ATOM 365 N VAL A 431 72.929 -6.673 -1.467 1.00 0.00 N ATOM 366 CA VAL A 431 73.406 -7.353 -0.228 1.00 0.00 C ATOM 367 C VAL A 431 72.702 -6.755 0.997 1.00 0.00 C ATOM 368 O VAL A 431 72.108 -5.698 0.910 1.00 0.00 O ATOM 369 CB VAL A 431 74.908 -7.074 -0.161 1.00 0.00 C ATOM 370 CG1 VAL A 431 75.621 -7.768 -1.324 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.158 -5.565 -0.238 1.00 0.00 C ATOM 0 H VAL A 431 72.567 -5.730 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 431 73.194 -8.422 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 431 75.298 -7.460 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 431 76.690 -7.564 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 431 75.453 -8.843 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.228 -7.391 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.229 -5.371 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 431 74.761 -5.178 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 431 74.662 -5.071 0.597 1.00 0.00 H new ATOM 381 N PRO A 432 72.790 -7.446 2.107 1.00 0.00 N ATOM 382 CA PRO A 432 72.150 -6.957 3.353 1.00 0.00 C ATOM 383 C PRO A 432 72.906 -5.743 3.900 1.00 0.00 C ATOM 384 O PRO A 432 73.976 -5.868 4.465 1.00 0.00 O ATOM 385 CB PRO A 432 72.262 -8.146 4.306 1.00 0.00 C ATOM 386 CG PRO A 432 73.424 -8.937 3.800 1.00 0.00 C ATOM 387 CD PRO A 432 73.481 -8.728 2.310 1.00 0.00 C ATOM 0 HA PRO A 432 71.120 -6.632 3.207 1.00 0.00 H new ATOM 0 HB2 PRO A 432 72.426 -7.816 5.332 1.00 0.00 H new ATOM 0 HB3 PRO A 432 71.349 -8.741 4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 432 74.350 -8.608 4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 432 73.304 -9.994 4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 432 74.509 -8.689 1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 432 72.987 -9.538 1.774 1.00 0.00 H new ATOM 395 N PHE A 433 72.360 -4.568 3.731 1.00 0.00 N ATOM 396 CA PHE A 433 73.044 -3.340 4.234 1.00 0.00 C ATOM 397 C PHE A 433 72.564 -3.002 5.650 1.00 0.00 C ATOM 398 O PHE A 433 73.268 -2.376 6.419 1.00 0.00 O ATOM 399 CB PHE A 433 72.642 -2.236 3.253 1.00 0.00 C ATOM 400 CG PHE A 433 73.839 -1.368 2.947 1.00 0.00 C ATOM 401 CD1 PHE A 433 74.853 -1.844 2.107 1.00 0.00 C ATOM 402 CD2 PHE A 433 73.933 -0.087 3.503 1.00 0.00 C ATOM 403 CE1 PHE A 433 75.962 -1.038 1.822 1.00 0.00 C ATOM 404 CE2 PHE A 433 75.042 0.719 3.218 1.00 0.00 C ATOM 405 CZ PHE A 433 76.057 0.244 2.378 1.00 0.00 C ATOM 0 H PHE A 433 71.467 -4.405 3.265 1.00 0.00 H new ATOM 0 HA PHE A 433 74.125 -3.465 4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 433 72.255 -2.676 2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 433 71.841 -1.631 3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 433 74.780 -2.833 1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 433 73.151 0.280 4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 433 76.744 -1.405 1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 433 75.115 1.708 3.646 1.00 0.00 H new ATOM 0 HZ PHE A 433 76.912 0.866 2.159 1.00 0.00 H new ATOM 415 N TYR A 434 71.370 -3.405 5.997 1.00 0.00 N ATOM 416 CA TYR A 434 70.845 -3.100 7.363 1.00 0.00 C ATOM 417 C TYR A 434 71.238 -4.213 8.339 1.00 0.00 C ATOM 418 O TYR A 434 71.702 -5.263 7.943 1.00 0.00 O ATOM 419 CB TYR A 434 69.320 -3.043 7.216 1.00 0.00 C ATOM 420 CG TYR A 434 68.945 -2.263 5.977 1.00 0.00 C ATOM 421 CD1 TYR A 434 69.075 -0.870 5.954 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.465 -2.939 4.849 1.00 0.00 C ATOM 423 CE1 TYR A 434 68.724 -0.152 4.803 1.00 0.00 C ATOM 424 CE2 TYR A 434 68.115 -2.224 3.700 1.00 0.00 C ATOM 425 CZ TYR A 434 68.244 -0.830 3.677 1.00 0.00 C ATOM 426 OH TYR A 434 67.894 -0.125 2.542 1.00 0.00 O ATOM 0 H TYR A 434 70.736 -3.931 5.396 1.00 0.00 H new ATOM 0 HA TYR A 434 71.250 -2.166 7.752 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.915 -4.053 7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.879 -2.575 8.097 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.446 -0.348 6.824 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.365 -4.014 4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 434 68.824 0.923 4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 434 67.745 -2.747 2.830 1.00 0.00 H new ATOM 0 HH TYR A 434 67.179 -0.600 2.069 1.00 0.00 H new ATOM 436 N SER A 435 71.054 -3.986 9.612 1.00 0.00 N ATOM 437 CA SER A 435 71.415 -5.028 10.619 1.00 0.00 C ATOM 438 C SER A 435 70.191 -5.882 10.970 1.00 0.00 C ATOM 439 O SER A 435 70.318 -6.994 11.443 1.00 0.00 O ATOM 440 CB SER A 435 71.890 -4.245 11.841 1.00 0.00 C ATOM 441 OG SER A 435 72.752 -3.196 11.420 1.00 0.00 O ATOM 0 H SER A 435 70.669 -3.124 9.999 1.00 0.00 H new ATOM 0 HA SER A 435 72.178 -5.712 10.248 1.00 0.00 H new ATOM 0 HB2 SER A 435 71.035 -3.835 12.379 1.00 0.00 H new ATOM 0 HB3 SER A 435 72.414 -4.907 12.531 1.00 0.00 H new ATOM 0 HG SER A 435 73.058 -2.690 12.202 1.00 0.00 H new ATOM 447 N THR A 436 69.008 -5.369 10.751 1.00 0.00 N ATOM 448 CA THR A 436 67.780 -6.152 11.083 1.00 0.00 C ATOM 449 C THR A 436 67.330 -6.986 9.880 1.00 0.00 C ATOM 450 O THR A 436 66.734 -8.034 10.031 1.00 0.00 O ATOM 451 CB THR A 436 66.725 -5.101 11.431 1.00 0.00 C ATOM 452 OG1 THR A 436 66.749 -4.066 10.458 1.00 0.00 O ATOM 453 CG2 THR A 436 67.022 -4.515 12.812 1.00 0.00 C ATOM 0 H THR A 436 68.839 -4.443 10.357 1.00 0.00 H new ATOM 0 HA THR A 436 67.950 -6.852 11.902 1.00 0.00 H new ATOM 0 HB THR A 436 65.739 -5.565 11.441 1.00 0.00 H new ATOM 0 HG1 THR A 436 66.072 -3.393 10.680 1.00 0.00 H new ATOM 0 HG21 THR A 436 66.270 -3.766 13.059 1.00 0.00 H new ATOM 0 HG22 THR A 436 67.001 -5.310 13.557 1.00 0.00 H new ATOM 0 HG23 THR A 436 68.008 -4.050 12.806 1.00 0.00 H new ATOM 461 N GLU A 437 67.607 -6.530 8.687 1.00 0.00 N ATOM 462 CA GLU A 437 67.190 -7.301 7.478 1.00 0.00 C ATOM 463 C GLU A 437 68.248 -8.350 7.127 1.00 0.00 C ATOM 464 O GLU A 437 69.297 -8.416 7.738 1.00 0.00 O ATOM 465 CB GLU A 437 67.075 -6.262 6.362 1.00 0.00 C ATOM 466 CG GLU A 437 65.684 -5.626 6.395 1.00 0.00 C ATOM 467 CD GLU A 437 65.641 -4.542 7.474 1.00 0.00 C ATOM 468 OE1 GLU A 437 66.579 -3.764 7.541 1.00 0.00 O ATOM 469 OE2 GLU A 437 64.672 -4.508 8.213 1.00 0.00 O ATOM 0 H GLU A 437 68.103 -5.659 8.497 1.00 0.00 H new ATOM 0 HA GLU A 437 66.253 -7.835 7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 437 67.840 -5.495 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.248 -6.732 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 437 65.447 -5.195 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 437 64.930 -6.386 6.599 1.00 0.00 H new ATOM 476 N LEU A 438 67.979 -9.170 6.146 1.00 0.00 N ATOM 477 CA LEU A 438 68.966 -10.217 5.751 1.00 0.00 C ATOM 478 C LEU A 438 68.620 -10.781 4.370 1.00 0.00 C ATOM 479 O LEU A 438 67.528 -11.263 4.142 1.00 0.00 O ATOM 480 CB LEU A 438 68.841 -11.302 6.821 1.00 0.00 C ATOM 481 CG LEU A 438 70.200 -11.968 7.034 1.00 0.00 C ATOM 482 CD1 LEU A 438 70.325 -12.426 8.488 1.00 0.00 C ATOM 483 CD2 LEU A 438 70.323 -13.179 6.107 1.00 0.00 C ATOM 0 H LEU A 438 67.117 -9.160 5.600 1.00 0.00 H new ATOM 0 HA LEU A 438 69.980 -9.823 5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 438 68.487 -10.867 7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 438 68.104 -12.045 6.516 1.00 0.00 H new ATOM 0 HG LEU A 438 70.993 -11.254 6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 438 71.295 -12.901 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 438 70.237 -11.564 9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 438 69.533 -13.140 8.714 1.00 0.00 H new ATOM 0 HD21 LEU A 438 71.292 -13.655 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 438 69.529 -13.891 6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 438 70.236 -12.854 5.070 1.00 0.00 H new ATOM 495 N ASN A 439 69.545 -10.725 3.448 1.00 0.00 N ATOM 496 CA ASN A 439 69.282 -11.258 2.076 1.00 0.00 C ATOM 497 C ASN A 439 68.020 -10.620 1.482 1.00 0.00 C ATOM 498 O ASN A 439 67.342 -11.212 0.666 1.00 0.00 O ATOM 499 CB ASN A 439 69.084 -12.764 2.259 1.00 0.00 C ATOM 500 CG ASN A 439 69.799 -13.516 1.135 1.00 0.00 C ATOM 501 OD1 ASN A 439 70.786 -13.047 0.606 1.00 0.00 O ATOM 502 ND2 ASN A 439 69.337 -14.673 0.744 1.00 0.00 N ATOM 0 H ASN A 439 70.476 -10.331 3.586 1.00 0.00 H new ATOM 0 HA ASN A 439 70.100 -11.035 1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 439 69.476 -13.078 3.227 1.00 0.00 H new ATOM 0 HB3 ASN A 439 68.021 -13.005 2.252 1.00 0.00 H new ATOM 0 HD21 ASN A 439 69.805 -15.182 -0.005 1.00 0.00 H new ATOM 0 HD22 ASN A 439 68.508 -15.068 1.188 1.00 0.00 H new ATOM 509 N LYS A 440 67.702 -9.417 1.885 1.00 0.00 N ATOM 510 CA LYS A 440 66.486 -8.746 1.339 1.00 0.00 C ATOM 511 C LYS A 440 66.485 -7.254 1.708 1.00 0.00 C ATOM 512 O LYS A 440 66.829 -6.895 2.817 1.00 0.00 O ATOM 513 CB LYS A 440 65.304 -9.466 1.997 1.00 0.00 C ATOM 514 CG LYS A 440 65.378 -9.296 3.518 1.00 0.00 C ATOM 515 CD LYS A 440 64.561 -10.399 4.196 1.00 0.00 C ATOM 516 CE LYS A 440 64.499 -10.138 5.703 1.00 0.00 C ATOM 517 NZ LYS A 440 65.427 -11.135 6.304 1.00 0.00 N ATOM 0 H LYS A 440 68.230 -8.872 2.566 1.00 0.00 H new ATOM 0 HA LYS A 440 66.441 -8.800 0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.364 -9.061 1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.321 -10.525 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 440 66.415 -9.341 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 440 64.994 -8.317 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 440 63.554 -10.428 3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 440 65.014 -11.372 4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 440 64.806 -9.119 5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 440 63.485 -10.262 6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 65.744 -10.797 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 64.935 -12.044 6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 66.251 -11.261 5.682 1.00 0.00 H new ATOM 531 N PRO A 441 66.091 -6.432 0.766 1.00 0.00 N ATOM 532 CA PRO A 441 66.043 -4.967 1.009 1.00 0.00 C ATOM 533 C PRO A 441 64.895 -4.617 1.959 1.00 0.00 C ATOM 534 O PRO A 441 63.910 -5.323 2.045 1.00 0.00 O ATOM 535 CB PRO A 441 65.800 -4.378 -0.379 1.00 0.00 C ATOM 536 CG PRO A 441 65.145 -5.475 -1.155 1.00 0.00 C ATOM 537 CD PRO A 441 65.658 -6.777 -0.597 1.00 0.00 C ATOM 0 HA PRO A 441 66.950 -4.583 1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.162 -3.496 -0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 441 66.735 -4.068 -0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.060 -5.417 -1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.381 -5.391 -2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 441 64.881 -7.541 -0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 441 66.484 -7.169 -1.191 1.00 0.00 H new ATOM 545 N ALA A 442 65.013 -3.526 2.667 1.00 0.00 N ATOM 546 CA ALA A 442 63.928 -3.121 3.606 1.00 0.00 C ATOM 547 C ALA A 442 62.892 -2.275 2.862 1.00 0.00 C ATOM 548 O ALA A 442 62.838 -1.070 3.011 1.00 0.00 O ATOM 549 CB ALA A 442 64.624 -2.292 4.686 1.00 0.00 C ATOM 0 H ALA A 442 65.815 -2.897 2.635 1.00 0.00 H new ATOM 0 HA ALA A 442 63.402 -3.976 4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 442 63.889 -1.956 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.378 -2.902 5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.102 -1.426 4.228 1.00 0.00 H new ATOM 555 N MET A 443 62.076 -2.899 2.056 1.00 0.00 N ATOM 556 CA MET A 443 61.047 -2.136 1.289 1.00 0.00 C ATOM 557 C MET A 443 60.184 -1.296 2.234 1.00 0.00 C ATOM 558 O MET A 443 60.063 -1.586 3.409 1.00 0.00 O ATOM 559 CB MET A 443 60.196 -3.202 0.596 1.00 0.00 C ATOM 560 CG MET A 443 59.720 -2.677 -0.761 1.00 0.00 C ATOM 561 SD MET A 443 60.753 -3.365 -2.079 1.00 0.00 S ATOM 562 CE MET A 443 59.519 -4.499 -2.763 1.00 0.00 C ATOM 0 H MET A 443 62.077 -3.906 1.895 1.00 0.00 H new ATOM 0 HA MET A 443 61.499 -1.445 0.578 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.777 -4.114 0.461 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.339 -3.459 1.219 1.00 0.00 H new ATOM 0 HG2 MET A 443 58.678 -2.951 -0.922 1.00 0.00 H new ATOM 0 HG3 MET A 443 59.769 -1.588 -0.778 1.00 0.00 H new ATOM 0 HE1 MET A 443 59.925 -4.988 -3.649 1.00 0.00 H new ATOM 0 HE2 MET A 443 59.264 -5.252 -2.017 1.00 0.00 H new ATOM 0 HE3 MET A 443 58.623 -3.941 -3.035 1.00 0.00 H new ATOM 572 N ILE A 444 59.586 -0.255 1.723 1.00 0.00 N ATOM 573 CA ILE A 444 58.728 0.616 2.570 1.00 0.00 C ATOM 574 C ILE A 444 57.431 0.944 1.826 1.00 0.00 C ATOM 575 O ILE A 444 57.361 0.845 0.615 1.00 0.00 O ATOM 576 CB ILE A 444 59.548 1.887 2.796 1.00 0.00 C ATOM 577 CG1 ILE A 444 60.133 2.367 1.464 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.685 1.596 3.778 1.00 0.00 C ATOM 579 CD1 ILE A 444 60.167 3.895 1.439 1.00 0.00 C ATOM 0 H ILE A 444 59.657 0.030 0.746 1.00 0.00 H new ATOM 0 HA ILE A 444 58.453 0.139 3.511 1.00 0.00 H new ATOM 0 HB ILE A 444 58.903 2.663 3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 444 61.139 1.969 1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 444 59.532 1.993 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 444 61.269 2.503 3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.269 1.260 4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 444 61.329 0.818 3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 444 60.584 4.234 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 444 59.155 4.283 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 444 60.787 4.259 2.258 1.00 0.00 H new ATOM 591 N TYR A 445 56.407 1.333 2.537 1.00 0.00 N ATOM 592 CA TYR A 445 55.116 1.666 1.867 1.00 0.00 C ATOM 593 C TYR A 445 54.896 3.182 1.866 1.00 0.00 C ATOM 594 O TYR A 445 54.829 3.808 2.906 1.00 0.00 O ATOM 595 CB TYR A 445 54.043 0.970 2.704 1.00 0.00 C ATOM 596 CG TYR A 445 52.754 0.909 1.919 1.00 0.00 C ATOM 597 CD1 TYR A 445 51.848 1.974 1.979 1.00 0.00 C ATOM 598 CD2 TYR A 445 52.465 -0.212 1.130 1.00 0.00 C ATOM 599 CE1 TYR A 445 50.653 1.919 1.250 1.00 0.00 C ATOM 600 CE2 TYR A 445 51.271 -0.267 0.403 1.00 0.00 C ATOM 601 CZ TYR A 445 50.365 0.798 0.462 1.00 0.00 C ATOM 602 OH TYR A 445 49.188 0.745 -0.257 1.00 0.00 O ATOM 0 H TYR A 445 56.408 1.435 3.552 1.00 0.00 H new ATOM 0 HA TYR A 445 55.096 1.341 0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 445 54.368 -0.036 2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 445 53.888 1.510 3.638 1.00 0.00 H new ATOM 0 HD1 TYR A 445 52.070 2.838 2.587 1.00 0.00 H new ATOM 0 HD2 TYR A 445 53.164 -1.034 1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 445 49.954 2.741 1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 445 51.048 -1.132 -0.204 1.00 0.00 H new ATOM 0 HH TYR A 445 49.148 1.504 -0.875 1.00 0.00 H new ATOM 612 N CYS A 446 54.781 3.776 0.706 1.00 0.00 N ATOM 613 CA CYS A 446 54.564 5.253 0.644 1.00 0.00 C ATOM 614 C CYS A 446 53.149 5.597 1.116 1.00 0.00 C ATOM 615 O CYS A 446 52.266 4.762 1.117 1.00 0.00 O ATOM 616 CB CYS A 446 54.742 5.629 -0.828 1.00 0.00 C ATOM 617 SG CYS A 446 54.729 7.432 -0.997 1.00 0.00 S ATOM 0 H CYS A 446 54.828 3.305 -0.197 1.00 0.00 H new ATOM 0 HA CYS A 446 55.258 5.796 1.286 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.681 5.224 -1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 446 53.942 5.191 -1.425 1.00 0.00 H new ATOM 622 N SER A 447 52.927 6.820 1.520 1.00 0.00 N ATOM 623 CA SER A 447 51.570 7.219 1.993 1.00 0.00 C ATOM 624 C SER A 447 50.940 8.220 1.020 1.00 0.00 C ATOM 625 O SER A 447 50.192 9.093 1.414 1.00 0.00 O ATOM 626 CB SER A 447 51.804 7.871 3.354 1.00 0.00 C ATOM 627 OG SER A 447 51.600 6.907 4.379 1.00 0.00 O ATOM 0 H SER A 447 53.628 7.560 1.543 1.00 0.00 H new ATOM 0 HA SER A 447 50.889 6.370 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 447 52.817 8.269 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 447 51.123 8.712 3.489 1.00 0.00 H new ATOM 0 HG SER A 447 51.131 7.324 5.132 1.00 0.00 H new ATOM 633 N HIS A 448 51.237 8.099 -0.246 1.00 0.00 N ATOM 634 CA HIS A 448 50.655 9.045 -1.243 1.00 0.00 C ATOM 635 C HIS A 448 49.606 8.331 -2.101 1.00 0.00 C ATOM 636 O HIS A 448 49.889 7.344 -2.751 1.00 0.00 O ATOM 637 CB HIS A 448 51.834 9.493 -2.105 1.00 0.00 C ATOM 638 CG HIS A 448 51.427 10.686 -2.927 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.944 10.924 -4.191 1.00 0.00 N ATOM 640 CD2 HIS A 448 50.551 11.715 -2.681 1.00 0.00 C ATOM 641 CE1 HIS A 448 51.381 12.055 -4.654 1.00 0.00 C ATOM 642 NE2 HIS A 448 50.524 12.578 -3.772 1.00 0.00 N ATOM 0 H HIS A 448 51.857 7.387 -0.633 1.00 0.00 H new ATOM 0 HA HIS A 448 50.156 9.889 -0.766 1.00 0.00 H new ATOM 0 HB2 HIS A 448 52.685 9.746 -1.473 1.00 0.00 H new ATOM 0 HB3 HIS A 448 52.152 8.679 -2.757 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.971 11.836 -1.778 1.00 0.00 H new ATOM 0 HE1 HIS A 448 51.595 12.487 -5.620 1.00 0.00 H new ATOM 0 HE2 HIS A 448 49.969 13.428 -3.876 1.00 0.00 H new ATOM 650 N GLY A 449 48.398 8.827 -2.108 1.00 0.00 N ATOM 651 CA GLY A 449 47.327 8.184 -2.923 1.00 0.00 C ATOM 652 C GLY A 449 47.090 6.758 -2.425 1.00 0.00 C ATOM 653 O GLY A 449 46.507 6.546 -1.379 1.00 0.00 O ATOM 0 H GLY A 449 48.106 9.652 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.406 8.762 -2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 449 47.615 8.170 -3.974 1.00 0.00 H new ATOM 657 N ASP A 450 47.535 5.780 -3.167 1.00 0.00 N ATOM 658 CA ASP A 450 47.334 4.364 -2.739 1.00 0.00 C ATOM 659 C ASP A 450 48.561 3.862 -1.971 1.00 0.00 C ATOM 660 O ASP A 450 48.465 2.982 -1.137 1.00 0.00 O ATOM 661 CB ASP A 450 47.151 3.577 -4.040 1.00 0.00 C ATOM 662 CG ASP A 450 48.407 3.708 -4.906 1.00 0.00 C ATOM 663 OD1 ASP A 450 48.661 4.800 -5.387 1.00 0.00 O ATOM 664 OD2 ASP A 450 49.094 2.713 -5.072 1.00 0.00 O ATOM 0 H ASP A 450 48.029 5.900 -4.051 1.00 0.00 H new ATOM 0 HA ASP A 450 46.478 4.252 -2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 450 46.960 2.527 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 450 46.283 3.951 -4.583 1.00 0.00 H new ATOM 669 N GLY A 451 49.712 4.413 -2.247 1.00 0.00 N ATOM 670 CA GLY A 451 50.945 3.967 -1.539 1.00 0.00 C ATOM 671 C GLY A 451 51.531 2.750 -2.257 1.00 0.00 C ATOM 672 O GLY A 451 50.818 1.843 -2.639 1.00 0.00 O ATOM 0 H GLY A 451 49.851 5.154 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.676 4.775 -1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.713 3.716 -0.504 1.00 0.00 H new ATOM 676 N HIS A 452 52.824 2.720 -2.435 1.00 0.00 N ATOM 677 CA HIS A 452 53.454 1.554 -3.120 1.00 0.00 C ATOM 678 C HIS A 452 54.614 1.013 -2.295 1.00 0.00 C ATOM 679 O HIS A 452 54.975 1.559 -1.270 1.00 0.00 O ATOM 680 CB HIS A 452 53.954 2.055 -4.481 1.00 0.00 C ATOM 681 CG HIS A 452 54.800 3.295 -4.324 1.00 0.00 C ATOM 682 ND1 HIS A 452 56.106 3.360 -4.791 1.00 0.00 N ATOM 683 CD2 HIS A 452 54.545 4.524 -3.767 1.00 0.00 C ATOM 684 CE1 HIS A 452 56.578 4.588 -4.505 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.665 5.332 -3.881 1.00 0.00 N ATOM 0 H HIS A 452 53.470 3.450 -2.137 1.00 0.00 H new ATOM 0 HA HIS A 452 52.737 0.742 -3.243 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.536 1.273 -4.969 1.00 0.00 H new ATOM 0 HB3 HIS A 452 53.104 2.270 -5.128 1.00 0.00 H new ATOM 0 HD1 HIS A 452 56.615 2.614 -5.264 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.612 4.817 -3.309 1.00 0.00 H new ATOM 0 HE1 HIS A 452 57.573 4.928 -4.751 1.00 0.00 H new ATOM 693 N TRP A 453 55.195 -0.061 -2.744 1.00 0.00 N ATOM 694 CA TRP A 453 56.337 -0.669 -2.007 1.00 0.00 C ATOM 695 C TRP A 453 57.656 -0.310 -2.694 1.00 0.00 C ATOM 696 O TRP A 453 57.802 -0.459 -3.891 1.00 0.00 O ATOM 697 CB TRP A 453 56.084 -2.172 -2.088 1.00 0.00 C ATOM 698 CG TRP A 453 55.314 -2.618 -0.886 1.00 0.00 C ATOM 699 CD1 TRP A 453 54.037 -3.066 -0.906 1.00 0.00 C ATOM 700 CD2 TRP A 453 55.743 -2.669 0.506 1.00 0.00 C ATOM 701 NE1 TRP A 453 53.655 -3.387 0.383 1.00 0.00 N ATOM 702 CE2 TRP A 453 54.671 -3.161 1.290 1.00 0.00 C ATOM 703 CE3 TRP A 453 56.944 -2.340 1.158 1.00 0.00 C ATOM 704 CZ2 TRP A 453 54.788 -3.320 2.670 1.00 0.00 C ATOM 705 CZ3 TRP A 453 57.065 -2.500 2.549 1.00 0.00 C ATOM 706 CH2 TRP A 453 55.989 -2.989 3.304 1.00 0.00 C ATOM 0 H TRP A 453 54.926 -0.549 -3.598 1.00 0.00 H new ATOM 0 HA TRP A 453 56.410 -0.316 -0.978 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.529 -2.409 -2.996 1.00 0.00 H new ATOM 0 HB3 TRP A 453 57.032 -2.708 -2.144 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.417 -3.158 -1.786 1.00 0.00 H new ATOM 0 HE1 TRP A 453 52.734 -3.747 0.634 1.00 0.00 H new ATOM 0 HE3 TRP A 453 57.779 -1.962 0.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 53.956 -3.697 3.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 57.993 -2.245 3.040 1.00 0.00 H new ATOM 0 HH2 TRP A 453 56.088 -3.110 4.373 1.00 0.00 H new ATOM 717 N VAL A 454 58.619 0.165 -1.948 1.00 0.00 N ATOM 718 CA VAL A 454 59.926 0.534 -2.570 1.00 0.00 C ATOM 719 C VAL A 454 61.073 0.367 -1.566 1.00 0.00 C ATOM 720 O VAL A 454 60.912 0.576 -0.383 1.00 0.00 O ATOM 721 CB VAL A 454 59.775 2.004 -2.977 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.731 2.121 -4.089 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.329 2.833 -1.775 1.00 0.00 C ATOM 0 H VAL A 454 58.558 0.313 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 454 60.164 -0.103 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 454 60.735 2.376 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.623 3.166 -4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 454 59.051 1.537 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.773 1.744 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 454 59.224 3.877 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.371 2.461 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 454 60.073 2.754 -0.982 1.00 0.00 H new ATOM 733 N HIS A 455 62.233 -0.012 -2.039 1.00 0.00 N ATOM 734 CA HIS A 455 63.402 -0.198 -1.124 1.00 0.00 C ATOM 735 C HIS A 455 63.664 1.092 -0.339 1.00 0.00 C ATOM 736 O HIS A 455 63.193 2.153 -0.701 1.00 0.00 O ATOM 737 CB HIS A 455 64.597 -0.521 -2.035 1.00 0.00 C ATOM 738 CG HIS A 455 64.234 -1.618 -2.990 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.196 -1.429 -4.381 1.00 0.00 N ATOM 740 CD2 HIS A 455 63.841 -2.907 -2.770 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.777 -2.592 -4.931 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.556 -3.493 -3.986 1.00 0.00 N ATOM 0 H HIS A 455 62.422 -0.202 -3.023 1.00 0.00 H new ATOM 0 HA HIS A 455 63.227 -0.991 -0.397 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.894 0.370 -2.588 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.453 -0.822 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 455 63.766 -3.387 -1.806 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.642 -2.761 -5.989 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.233 -4.449 -4.131 1.00 0.00 H new ATOM 750 N ALA A 456 64.407 1.008 0.732 1.00 0.00 N ATOM 751 CA ALA A 456 64.696 2.229 1.540 1.00 0.00 C ATOM 752 C ALA A 456 66.004 2.881 1.079 1.00 0.00 C ATOM 753 O ALA A 456 66.043 4.053 0.756 1.00 0.00 O ATOM 754 CB ALA A 456 64.827 1.728 2.979 1.00 0.00 C ATOM 0 H ALA A 456 64.826 0.147 1.083 1.00 0.00 H new ATOM 0 HA ALA A 456 63.916 2.983 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 456 65.041 2.569 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 456 63.895 1.254 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.639 1.004 3.040 1.00 0.00 H new ATOM 760 N GLN A 457 67.075 2.133 1.053 1.00 0.00 N ATOM 761 CA GLN A 457 68.385 2.709 0.620 1.00 0.00 C ATOM 762 C GLN A 457 68.279 3.291 -0.794 1.00 0.00 C ATOM 763 O GLN A 457 69.000 4.200 -1.154 1.00 0.00 O ATOM 764 CB GLN A 457 69.370 1.537 0.648 1.00 0.00 C ATOM 765 CG GLN A 457 68.882 0.426 -0.287 1.00 0.00 C ATOM 766 CD GLN A 457 69.968 -0.642 -0.423 1.00 0.00 C ATOM 767 OE1 GLN A 457 70.307 -1.306 0.536 1.00 0.00 O ATOM 768 NE2 GLN A 457 70.532 -0.837 -1.583 1.00 0.00 N ATOM 0 H GLN A 457 67.101 1.147 1.313 1.00 0.00 H new ATOM 0 HA GLN A 457 68.704 3.524 1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 457 70.360 1.875 0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 457 69.465 1.154 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 457 67.968 -0.018 0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 457 68.640 0.840 -1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 457 70.248 -0.280 -2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 457 71.257 -1.547 -1.685 1.00 0.00 H new ATOM 777 N CYS A 458 67.386 2.774 -1.596 1.00 0.00 N ATOM 778 CA CYS A 458 67.237 3.301 -2.986 1.00 0.00 C ATOM 779 C CYS A 458 66.827 4.776 -2.955 1.00 0.00 C ATOM 780 O CYS A 458 67.057 5.512 -3.894 1.00 0.00 O ATOM 781 CB CYS A 458 66.133 2.455 -3.620 1.00 0.00 C ATOM 782 SG CYS A 458 66.845 0.924 -4.272 1.00 0.00 S ATOM 0 H CYS A 458 66.754 2.012 -1.350 1.00 0.00 H new ATOM 0 HA CYS A 458 68.169 3.241 -3.547 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.366 2.226 -2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.647 3.013 -4.421 1.00 0.00 H new ATOM 787 N MET A 459 66.218 5.212 -1.884 1.00 0.00 N ATOM 788 CA MET A 459 65.791 6.639 -1.796 1.00 0.00 C ATOM 789 C MET A 459 66.848 7.462 -1.053 1.00 0.00 C ATOM 790 O MET A 459 66.550 8.480 -0.459 1.00 0.00 O ATOM 791 CB MET A 459 64.476 6.622 -1.008 1.00 0.00 C ATOM 792 CG MET A 459 63.516 5.583 -1.604 1.00 0.00 C ATOM 793 SD MET A 459 63.119 6.028 -3.315 1.00 0.00 S ATOM 794 CE MET A 459 61.735 4.883 -3.530 1.00 0.00 C ATOM 0 H MET A 459 65.998 4.642 -1.067 1.00 0.00 H new ATOM 0 HA MET A 459 65.667 7.090 -2.781 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.673 6.388 0.038 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.016 7.610 -1.033 1.00 0.00 H new ATOM 0 HG2 MET A 459 63.971 4.593 -1.572 1.00 0.00 H new ATOM 0 HG3 MET A 459 62.603 5.534 -1.010 1.00 0.00 H new ATOM 0 HE1 MET A 459 61.871 4.316 -4.451 1.00 0.00 H new ATOM 0 HE2 MET A 459 61.696 4.197 -2.684 1.00 0.00 H new ATOM 0 HE3 MET A 459 60.803 5.445 -3.585 1.00 0.00 H new ATOM 804 N ASP A 460 68.084 7.029 -1.082 1.00 0.00 N ATOM 805 CA ASP A 460 69.168 7.783 -0.380 1.00 0.00 C ATOM 806 C ASP A 460 68.792 8.012 1.090 1.00 0.00 C ATOM 807 O ASP A 460 68.930 9.100 1.613 1.00 0.00 O ATOM 808 CB ASP A 460 69.279 9.117 -1.125 1.00 0.00 C ATOM 809 CG ASP A 460 70.619 9.181 -1.863 1.00 0.00 C ATOM 810 OD1 ASP A 460 70.802 8.402 -2.784 1.00 0.00 O ATOM 811 OD2 ASP A 460 71.438 10.006 -1.493 1.00 0.00 O ATOM 0 H ASP A 460 68.390 6.183 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 460 70.113 7.240 -0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 460 68.457 9.220 -1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 460 69.199 9.946 -0.422 1.00 0.00 H new ATOM 816 N LEU A 461 68.321 6.992 1.757 1.00 0.00 N ATOM 817 CA LEU A 461 67.938 7.146 3.191 1.00 0.00 C ATOM 818 C LEU A 461 69.056 6.622 4.096 1.00 0.00 C ATOM 819 O LEU A 461 69.909 5.868 3.670 1.00 0.00 O ATOM 820 CB LEU A 461 66.675 6.302 3.358 1.00 0.00 C ATOM 821 CG LEU A 461 65.440 7.188 3.176 1.00 0.00 C ATOM 822 CD1 LEU A 461 64.307 6.364 2.562 1.00 0.00 C ATOM 823 CD2 LEU A 461 64.998 7.730 4.537 1.00 0.00 C ATOM 0 H LEU A 461 68.185 6.058 1.370 1.00 0.00 H new ATOM 0 HA LEU A 461 67.770 8.188 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.666 5.493 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 461 66.662 5.840 4.345 1.00 0.00 H new ATOM 0 HG LEU A 461 65.683 8.020 2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 461 63.427 6.995 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 461 64.622 5.977 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.063 5.532 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 461 64.119 8.361 4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 461 64.755 6.898 5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 461 65.805 8.317 4.974 1.00 0.00 H new ATOM 835 N GLU A 462 69.058 7.017 5.341 1.00 0.00 N ATOM 836 CA GLU A 462 70.119 6.542 6.276 1.00 0.00 C ATOM 837 C GLU A 462 69.558 5.460 7.202 1.00 0.00 C ATOM 838 O GLU A 462 68.361 5.344 7.382 1.00 0.00 O ATOM 839 CB GLU A 462 70.527 7.782 7.080 1.00 0.00 C ATOM 840 CG GLU A 462 72.019 8.068 6.873 1.00 0.00 C ATOM 841 CD GLU A 462 72.788 7.764 8.162 1.00 0.00 C ATOM 842 OE1 GLU A 462 72.373 6.869 8.879 1.00 0.00 O ATOM 843 OE2 GLU A 462 73.780 8.431 8.407 1.00 0.00 O ATOM 0 H GLU A 462 68.370 7.649 5.751 1.00 0.00 H new ATOM 0 HA GLU A 462 70.967 6.103 5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 462 69.936 8.642 6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 462 70.321 7.624 8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 462 72.406 7.459 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 462 72.163 9.111 6.590 1.00 0.00 H new ATOM 850 N GLU A 463 70.412 4.664 7.788 1.00 0.00 N ATOM 851 CA GLU A 463 69.928 3.587 8.702 1.00 0.00 C ATOM 852 C GLU A 463 69.151 4.196 9.873 1.00 0.00 C ATOM 853 O GLU A 463 68.133 3.680 10.291 1.00 0.00 O ATOM 854 CB GLU A 463 71.195 2.891 9.204 1.00 0.00 C ATOM 855 CG GLU A 463 70.811 1.721 10.112 1.00 0.00 C ATOM 856 CD GLU A 463 70.151 0.621 9.279 1.00 0.00 C ATOM 857 OE1 GLU A 463 68.983 0.767 8.960 1.00 0.00 O ATOM 858 OE2 GLU A 463 70.826 -0.348 8.974 1.00 0.00 O ATOM 0 H GLU A 463 71.424 4.712 7.674 1.00 0.00 H new ATOM 0 HA GLU A 463 69.254 2.893 8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 463 71.784 2.532 8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.819 3.599 9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 463 71.697 1.330 10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 463 70.128 2.061 10.891 1.00 0.00 H new ATOM 865 N ARG A 464 69.625 5.292 10.404 1.00 0.00 N ATOM 866 CA ARG A 464 68.916 5.938 11.550 1.00 0.00 C ATOM 867 C ARG A 464 67.489 6.313 11.146 1.00 0.00 C ATOM 868 O ARG A 464 66.531 5.862 11.743 1.00 0.00 O ATOM 869 CB ARG A 464 69.729 7.194 11.868 1.00 0.00 C ATOM 870 CG ARG A 464 70.982 6.806 12.655 1.00 0.00 C ATOM 871 CD ARG A 464 70.634 6.680 14.141 1.00 0.00 C ATOM 872 NE ARG A 464 71.767 7.333 14.856 1.00 0.00 N ATOM 873 CZ ARG A 464 71.557 8.412 15.560 1.00 0.00 C ATOM 874 NH1 ARG A 464 70.780 9.351 15.097 1.00 0.00 N ATOM 875 NH2 ARG A 464 72.127 8.552 16.726 1.00 0.00 N ATOM 0 H ARG A 464 70.472 5.768 10.095 1.00 0.00 H new ATOM 0 HA ARG A 464 68.839 5.274 12.411 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.009 7.702 10.945 1.00 0.00 H new ATOM 0 HB3 ARG A 464 69.126 7.894 12.446 1.00 0.00 H new ATOM 0 HG2 ARG A 464 71.380 5.862 12.283 1.00 0.00 H new ATOM 0 HG3 ARG A 464 71.759 7.557 12.515 1.00 0.00 H new ATOM 0 HD2 ARG A 464 69.688 7.171 14.368 1.00 0.00 H new ATOM 0 HD3 ARG A 464 70.530 5.636 14.435 1.00 0.00 H new ATOM 0 HE ARG A 464 72.705 6.937 14.795 1.00 0.00 H new ATOM 0 HH11 ARG A 464 70.336 9.242 14.185 1.00 0.00 H new ATOM 0 HH12 ARG A 464 70.616 10.194 15.647 1.00 0.00 H new ATOM 0 HH21 ARG A 464 72.737 7.818 17.087 1.00 0.00 H new ATOM 0 HH22 ARG A 464 71.963 9.395 17.276 1.00 0.00 H new ATOM 889 N THR A 465 67.340 7.133 10.138 1.00 0.00 N ATOM 890 CA THR A 465 65.971 7.540 9.693 1.00 0.00 C ATOM 891 C THR A 465 65.065 6.312 9.574 1.00 0.00 C ATOM 892 O THR A 465 63.911 6.342 9.953 1.00 0.00 O ATOM 893 CB THR A 465 66.173 8.196 8.325 1.00 0.00 C ATOM 894 OG1 THR A 465 67.187 9.186 8.424 1.00 0.00 O ATOM 895 CG2 THR A 465 64.865 8.845 7.871 1.00 0.00 C ATOM 0 H THR A 465 68.107 7.539 9.603 1.00 0.00 H new ATOM 0 HA THR A 465 65.493 8.218 10.400 1.00 0.00 H new ATOM 0 HB THR A 465 66.471 7.441 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.320 9.607 7.549 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.010 9.312 6.897 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.088 8.084 7.797 1.00 0.00 H new ATOM 0 HG23 THR A 465 64.564 9.602 8.595 1.00 0.00 H new ATOM 903 N LEU A 466 65.585 5.223 9.068 1.00 0.00 N ATOM 904 CA LEU A 466 64.757 3.990 8.947 1.00 0.00 C ATOM 905 C LEU A 466 64.357 3.513 10.345 1.00 0.00 C ATOM 906 O LEU A 466 63.243 3.082 10.570 1.00 0.00 O ATOM 907 CB LEU A 466 65.660 2.963 8.263 1.00 0.00 C ATOM 908 CG LEU A 466 64.800 1.936 7.526 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.672 1.148 6.546 1.00 0.00 C ATOM 910 CD2 LEU A 466 64.176 0.973 8.538 1.00 0.00 C ATOM 0 H LEU A 466 66.545 5.136 8.735 1.00 0.00 H new ATOM 0 HA LEU A 466 63.840 4.152 8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.330 3.462 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 466 66.286 2.464 9.003 1.00 0.00 H new ATOM 0 HG LEU A 466 64.011 2.451 6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 466 65.059 0.416 6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 466 66.118 1.832 5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 466 66.461 0.634 7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 466 63.563 0.241 8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 466 64.966 0.459 9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 466 63.554 1.532 9.237 1.00 0.00 H new ATOM 922 N ILE A 467 65.254 3.612 11.293 1.00 0.00 N ATOM 923 CA ILE A 467 64.916 3.190 12.682 1.00 0.00 C ATOM 924 C ILE A 467 63.833 4.121 13.221 1.00 0.00 C ATOM 925 O ILE A 467 62.816 3.692 13.732 1.00 0.00 O ATOM 926 CB ILE A 467 66.230 3.326 13.481 1.00 0.00 C ATOM 927 CG1 ILE A 467 66.462 2.048 14.289 1.00 0.00 C ATOM 928 CG2 ILE A 467 66.172 4.527 14.444 1.00 0.00 C ATOM 929 CD1 ILE A 467 67.962 1.859 14.528 1.00 0.00 C ATOM 0 H ILE A 467 66.202 3.966 11.164 1.00 0.00 H new ATOM 0 HA ILE A 467 64.533 2.171 12.746 1.00 0.00 H new ATOM 0 HB ILE A 467 67.046 3.485 12.777 1.00 0.00 H new ATOM 0 HG12 ILE A 467 65.936 2.107 15.242 1.00 0.00 H new ATOM 0 HG13 ILE A 467 66.057 1.189 13.754 1.00 0.00 H new ATOM 0 HG21 ILE A 467 67.111 4.598 14.994 1.00 0.00 H new ATOM 0 HG22 ILE A 467 66.014 5.443 13.874 1.00 0.00 H new ATOM 0 HG23 ILE A 467 65.350 4.391 15.147 1.00 0.00 H new ATOM 0 HD11 ILE A 467 68.127 0.948 15.104 1.00 0.00 H new ATOM 0 HD12 ILE A 467 68.476 1.781 13.570 1.00 0.00 H new ATOM 0 HD13 ILE A 467 68.353 2.713 15.081 1.00 0.00 H new ATOM 941 N HIS A 468 64.054 5.400 13.094 1.00 0.00 N ATOM 942 CA HIS A 468 63.059 6.388 13.580 1.00 0.00 C ATOM 943 C HIS A 468 61.715 6.112 12.905 1.00 0.00 C ATOM 944 O HIS A 468 60.688 6.009 13.548 1.00 0.00 O ATOM 945 CB HIS A 468 63.631 7.745 13.151 1.00 0.00 C ATOM 946 CG HIS A 468 62.641 8.830 13.453 1.00 0.00 C ATOM 947 ND1 HIS A 468 62.954 9.939 14.222 1.00 0.00 N ATOM 948 CD2 HIS A 468 61.336 8.984 13.085 1.00 0.00 C ATOM 949 CE1 HIS A 468 61.850 10.706 14.290 1.00 0.00 C ATOM 950 NE2 HIS A 468 60.832 10.169 13.612 1.00 0.00 N ATOM 0 H HIS A 468 64.890 5.803 12.670 1.00 0.00 H new ATOM 0 HA HIS A 468 62.890 6.349 14.656 1.00 0.00 H new ATOM 0 HB2 HIS A 468 64.567 7.938 13.675 1.00 0.00 H new ATOM 0 HB3 HIS A 468 63.859 7.734 12.085 1.00 0.00 H new ATOM 0 HD2 HIS A 468 60.777 8.289 12.475 1.00 0.00 H new ATOM 0 HE1 HIS A 468 61.794 11.641 14.827 1.00 0.00 H new ATOM 0 HE2 HIS A 468 59.890 10.546 13.504 1.00 0.00 H new ATOM 958 N LEU A 469 61.726 5.981 11.608 1.00 0.00 N ATOM 959 CA LEU A 469 60.463 5.703 10.869 1.00 0.00 C ATOM 960 C LEU A 469 59.908 4.328 11.263 1.00 0.00 C ATOM 961 O LEU A 469 58.761 4.019 11.009 1.00 0.00 O ATOM 962 CB LEU A 469 60.864 5.727 9.393 1.00 0.00 C ATOM 963 CG LEU A 469 60.489 7.082 8.790 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.161 7.241 7.425 1.00 0.00 C ATOM 965 CD2 LEU A 469 58.969 7.164 8.629 1.00 0.00 C ATOM 0 H LEU A 469 62.560 6.055 11.025 1.00 0.00 H new ATOM 0 HA LEU A 469 59.680 6.429 11.091 1.00 0.00 H new ATOM 0 HB2 LEU A 469 61.936 5.555 9.292 1.00 0.00 H new ATOM 0 HB3 LEU A 469 60.361 4.924 8.854 1.00 0.00 H new ATOM 0 HG LEU A 469 60.827 7.880 9.451 1.00 0.00 H new ATOM 0 HD11 LEU A 469 60.892 8.207 6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.243 7.185 7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 469 60.827 6.444 6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 469 58.700 8.129 8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.629 6.366 7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.493 7.056 9.604 1.00 0.00 H new ATOM 977 N SER A 470 60.711 3.503 11.886 1.00 0.00 N ATOM 978 CA SER A 470 60.225 2.154 12.297 1.00 0.00 C ATOM 979 C SER A 470 59.727 2.178 13.748 1.00 0.00 C ATOM 980 O SER A 470 59.361 1.157 14.300 1.00 0.00 O ATOM 981 CB SER A 470 61.441 1.238 12.167 1.00 0.00 C ATOM 982 OG SER A 470 61.194 0.027 12.871 1.00 0.00 O ATOM 0 H SER A 470 61.681 3.706 12.127 1.00 0.00 H new ATOM 0 HA SER A 470 59.389 1.818 11.683 1.00 0.00 H new ATOM 0 HB2 SER A 470 61.641 1.027 11.117 1.00 0.00 H new ATOM 0 HB3 SER A 470 62.327 1.731 12.568 1.00 0.00 H new ATOM 0 HG SER A 470 60.284 0.040 13.235 1.00 0.00 H new ATOM 988 N GLU A 471 59.713 3.327 14.373 1.00 0.00 N ATOM 989 CA GLU A 471 59.240 3.400 15.788 1.00 0.00 C ATOM 990 C GLU A 471 57.757 3.784 15.836 1.00 0.00 C ATOM 991 O GLU A 471 57.301 4.413 16.770 1.00 0.00 O ATOM 992 CB GLU A 471 60.097 4.488 16.439 1.00 0.00 C ATOM 993 CG GLU A 471 61.134 3.841 17.361 1.00 0.00 C ATOM 994 CD GLU A 471 62.459 3.686 16.613 1.00 0.00 C ATOM 995 OE1 GLU A 471 63.248 4.615 16.647 1.00 0.00 O ATOM 996 OE2 GLU A 471 62.661 2.641 16.017 1.00 0.00 O ATOM 0 H GLU A 471 60.007 4.215 13.967 1.00 0.00 H new ATOM 0 HA GLU A 471 59.335 2.444 16.302 1.00 0.00 H new ATOM 0 HB2 GLU A 471 60.596 5.080 15.672 1.00 0.00 H new ATOM 0 HB3 GLU A 471 59.466 5.171 17.007 1.00 0.00 H new ATOM 0 HG2 GLU A 471 61.277 4.454 18.251 1.00 0.00 H new ATOM 0 HG3 GLU A 471 60.779 2.867 17.698 1.00 0.00 H new ATOM 1003 N GLY A 472 57.003 3.406 14.838 1.00 0.00 N ATOM 1004 CA GLY A 472 55.551 3.748 14.829 1.00 0.00 C ATOM 1005 C GLY A 472 54.998 3.594 13.411 1.00 0.00 C ATOM 1006 O GLY A 472 55.551 2.888 12.591 1.00 0.00 O ATOM 0 H GLY A 472 57.329 2.876 14.030 1.00 0.00 H new ATOM 0 HA2 GLY A 472 55.009 3.097 15.515 1.00 0.00 H new ATOM 0 HA3 GLY A 472 55.405 4.770 15.178 1.00 0.00 H new ATOM 1010 N SER A 473 53.908 4.252 13.118 1.00 0.00 N ATOM 1011 CA SER A 473 53.314 4.149 11.753 1.00 0.00 C ATOM 1012 C SER A 473 53.067 5.546 11.179 1.00 0.00 C ATOM 1013 O SER A 473 52.003 5.839 10.669 1.00 0.00 O ATOM 1014 CB SER A 473 51.993 3.409 11.951 1.00 0.00 C ATOM 1015 OG SER A 473 52.190 2.327 12.853 1.00 0.00 O ATOM 0 H SER A 473 53.403 4.857 13.766 1.00 0.00 H new ATOM 0 HA SER A 473 53.970 3.630 11.054 1.00 0.00 H new ATOM 0 HB2 SER A 473 51.237 4.090 12.342 1.00 0.00 H new ATOM 0 HB3 SER A 473 51.624 3.038 10.995 1.00 0.00 H new ATOM 0 HG SER A 473 51.343 1.851 12.983 1.00 0.00 H new ATOM 1021 N ASN A 474 54.044 6.410 11.261 1.00 0.00 N ATOM 1022 CA ASN A 474 53.869 7.791 10.722 1.00 0.00 C ATOM 1023 C ASN A 474 53.609 7.743 9.214 1.00 0.00 C ATOM 1024 O ASN A 474 53.780 6.722 8.578 1.00 0.00 O ATOM 1025 CB ASN A 474 55.191 8.503 11.016 1.00 0.00 C ATOM 1026 CG ASN A 474 55.099 9.963 10.570 1.00 0.00 C ATOM 1027 OD1 ASN A 474 54.092 10.611 10.779 1.00 0.00 O ATOM 1028 ND2 ASN A 474 56.113 10.513 9.960 1.00 0.00 N ATOM 0 H ASN A 474 54.955 6.219 11.678 1.00 0.00 H new ATOM 0 HA ASN A 474 53.020 8.305 11.174 1.00 0.00 H new ATOM 0 HB2 ASN A 474 55.414 8.451 12.082 1.00 0.00 H new ATOM 0 HB3 ASN A 474 56.008 8.004 10.495 1.00 0.00 H new ATOM 0 HD21 ASN A 474 56.060 11.486 9.659 1.00 0.00 H new ATOM 0 HD22 ASN A 474 56.958 9.970 9.784 1.00 0.00 H new ATOM 1035 N LYS A 475 53.197 8.842 8.641 1.00 0.00 N ATOM 1036 CA LYS A 475 52.922 8.867 7.171 1.00 0.00 C ATOM 1037 C LYS A 475 54.227 8.702 6.385 1.00 0.00 C ATOM 1038 O LYS A 475 54.760 9.649 5.841 1.00 0.00 O ATOM 1039 CB LYS A 475 52.302 10.242 6.900 1.00 0.00 C ATOM 1040 CG LYS A 475 53.241 11.346 7.403 1.00 0.00 C ATOM 1041 CD LYS A 475 53.295 12.487 6.379 1.00 0.00 C ATOM 1042 CE LYS A 475 52.685 13.754 6.986 1.00 0.00 C ATOM 1043 NZ LYS A 475 53.828 14.462 7.629 1.00 0.00 N ATOM 0 H LYS A 475 53.038 9.725 9.126 1.00 0.00 H new ATOM 0 HA LYS A 475 52.261 8.057 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 475 52.121 10.365 5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 475 51.336 10.319 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 475 52.892 11.724 8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 475 54.240 10.941 7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 475 54.327 12.674 6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 475 52.751 12.206 5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 475 52.218 14.373 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 475 51.912 13.510 7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 53.489 15.342 8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 54.249 13.851 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 54.545 14.688 6.910 1.00 0.00 H new ATOM 1057 N TYR A 476 54.743 7.503 6.320 1.00 0.00 N ATOM 1058 CA TYR A 476 56.013 7.275 5.569 1.00 0.00 C ATOM 1059 C TYR A 476 55.848 7.693 4.105 1.00 0.00 C ATOM 1060 O TYR A 476 54.873 7.360 3.460 1.00 0.00 O ATOM 1061 CB TYR A 476 56.271 5.770 5.669 1.00 0.00 C ATOM 1062 CG TYR A 476 57.732 5.491 5.414 1.00 0.00 C ATOM 1063 CD1 TYR A 476 58.299 5.806 4.172 1.00 0.00 C ATOM 1064 CD2 TYR A 476 58.522 4.919 6.418 1.00 0.00 C ATOM 1065 CE1 TYR A 476 59.653 5.548 3.935 1.00 0.00 C ATOM 1066 CE2 TYR A 476 59.877 4.660 6.180 1.00 0.00 C ATOM 1067 CZ TYR A 476 60.443 4.974 4.939 1.00 0.00 C ATOM 1068 OH TYR A 476 61.779 4.721 4.705 1.00 0.00 O ATOM 0 H TYR A 476 54.341 6.672 6.754 1.00 0.00 H new ATOM 0 HA TYR A 476 56.839 7.859 5.975 1.00 0.00 H new ATOM 0 HB2 TYR A 476 55.988 5.407 6.657 1.00 0.00 H new ATOM 0 HB3 TYR A 476 55.656 5.236 4.944 1.00 0.00 H new ATOM 0 HD1 TYR A 476 57.690 6.248 3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 476 58.086 4.677 7.376 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.089 5.791 2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 476 60.486 4.218 6.954 1.00 0.00 H new ATOM 0 HH TYR A 476 62.181 4.323 5.505 1.00 0.00 H new ATOM 1078 N TYR A 477 56.800 8.417 3.578 1.00 0.00 N ATOM 1079 CA TYR A 477 56.707 8.856 2.156 1.00 0.00 C ATOM 1080 C TYR A 477 57.899 8.315 1.361 1.00 0.00 C ATOM 1081 O TYR A 477 58.888 7.886 1.923 1.00 0.00 O ATOM 1082 CB TYR A 477 56.750 10.384 2.209 1.00 0.00 C ATOM 1083 CG TYR A 477 55.345 10.938 2.139 1.00 0.00 C ATOM 1084 CD1 TYR A 477 54.484 10.542 1.107 1.00 0.00 C ATOM 1085 CD2 TYR A 477 54.905 11.849 3.105 1.00 0.00 C ATOM 1086 CE1 TYR A 477 53.184 11.057 1.043 1.00 0.00 C ATOM 1087 CE2 TYR A 477 53.605 12.365 3.041 1.00 0.00 C ATOM 1088 CZ TYR A 477 52.744 11.969 2.010 1.00 0.00 C ATOM 1089 OH TYR A 477 51.464 12.478 1.947 1.00 0.00 O ATOM 0 H TYR A 477 57.638 8.723 4.072 1.00 0.00 H new ATOM 0 HA TYR A 477 55.803 8.491 1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.235 10.712 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 477 57.344 10.769 1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 477 54.824 9.839 0.361 1.00 0.00 H new ATOM 0 HD2 TYR A 477 55.568 12.155 3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 477 52.520 10.751 0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 477 53.266 13.069 3.787 1.00 0.00 H new ATOM 0 HH TYR A 477 51.320 13.096 2.694 1.00 0.00 H new ATOM 1099 N CYS A 478 57.814 8.333 0.057 1.00 0.00 N ATOM 1100 CA CYS A 478 58.943 7.822 -0.773 1.00 0.00 C ATOM 1101 C CYS A 478 59.805 8.996 -1.261 1.00 0.00 C ATOM 1102 O CYS A 478 59.708 10.097 -0.754 1.00 0.00 O ATOM 1103 CB CYS A 478 58.273 7.074 -1.940 1.00 0.00 C ATOM 1104 SG CYS A 478 57.857 8.222 -3.279 1.00 0.00 S ATOM 0 H CYS A 478 57.012 8.679 -0.469 1.00 0.00 H new ATOM 0 HA CYS A 478 59.613 7.162 -0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.942 6.298 -2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.370 6.575 -1.588 1.00 0.00 H new ATOM 1109 N ASN A 479 60.645 8.772 -2.237 1.00 0.00 N ATOM 1110 CA ASN A 479 61.508 9.879 -2.748 1.00 0.00 C ATOM 1111 C ASN A 479 60.748 10.716 -3.784 1.00 0.00 C ATOM 1112 O ASN A 479 60.840 11.929 -3.800 1.00 0.00 O ATOM 1113 CB ASN A 479 62.707 9.180 -3.393 1.00 0.00 C ATOM 1114 CG ASN A 479 63.664 10.226 -3.973 1.00 0.00 C ATOM 1115 OD1 ASN A 479 63.654 10.479 -5.162 1.00 0.00 O ATOM 1116 ND2 ASN A 479 64.494 10.845 -3.181 1.00 0.00 N ATOM 0 H ASN A 479 60.771 7.873 -2.702 1.00 0.00 H new ATOM 0 HA ASN A 479 61.812 10.563 -1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 479 63.225 8.569 -2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 479 62.368 8.507 -4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 479 65.136 11.542 -3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 479 64.502 10.632 -2.183 1.00 0.00 H new ATOM 1123 N GLU A 480 60.005 10.080 -4.649 1.00 0.00 N ATOM 1124 CA GLU A 480 59.244 10.839 -5.688 1.00 0.00 C ATOM 1125 C GLU A 480 57.967 11.456 -5.096 1.00 0.00 C ATOM 1126 O GLU A 480 57.193 12.078 -5.797 1.00 0.00 O ATOM 1127 CB GLU A 480 58.890 9.800 -6.753 1.00 0.00 C ATOM 1128 CG GLU A 480 58.740 10.491 -8.110 1.00 0.00 C ATOM 1129 CD GLU A 480 58.904 9.462 -9.229 1.00 0.00 C ATOM 1130 OE1 GLU A 480 58.481 8.334 -9.037 1.00 0.00 O ATOM 1131 OE2 GLU A 480 59.453 9.818 -10.259 1.00 0.00 O ATOM 0 H GLU A 480 59.891 9.067 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 480 59.827 11.667 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 480 59.667 9.038 -6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 480 57.963 9.292 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 480 57.762 10.968 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 480 59.487 11.278 -8.213 1.00 0.00 H new ATOM 1138 N HIS A 481 57.738 11.290 -3.819 1.00 0.00 N ATOM 1139 CA HIS A 481 56.513 11.869 -3.198 1.00 0.00 C ATOM 1140 C HIS A 481 56.859 12.522 -1.856 1.00 0.00 C ATOM 1141 O HIS A 481 56.010 12.691 -1.001 1.00 0.00 O ATOM 1142 CB HIS A 481 55.576 10.680 -2.985 1.00 0.00 C ATOM 1143 CG HIS A 481 55.255 10.037 -4.309 1.00 0.00 C ATOM 1144 ND1 HIS A 481 55.264 8.648 -4.482 1.00 0.00 N ATOM 1145 CD2 HIS A 481 54.915 10.567 -5.535 1.00 0.00 C ATOM 1146 CE1 HIS A 481 54.940 8.392 -5.765 1.00 0.00 C ATOM 1147 NE2 HIS A 481 54.726 9.523 -6.419 1.00 0.00 N ATOM 0 H HIS A 481 58.347 10.778 -3.181 1.00 0.00 H new ATOM 0 HA HIS A 481 56.060 12.640 -3.822 1.00 0.00 H new ATOM 0 HB2 HIS A 481 56.043 9.952 -2.321 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.658 11.012 -2.500 1.00 0.00 H new ATOM 0 HD2 HIS A 481 54.814 11.617 -5.765 1.00 0.00 H new ATOM 0 HE1 HIS A 481 54.866 7.405 -6.198 1.00 0.00 H new ATOM 0 HE2 HIS A 481 54.467 9.608 -7.402 1.00 0.00 H new ATOM 1155 N VAL A 482 58.099 12.886 -1.662 1.00 0.00 N ATOM 1156 CA VAL A 482 58.499 13.522 -0.372 1.00 0.00 C ATOM 1157 C VAL A 482 58.174 15.015 -0.393 1.00 0.00 C ATOM 1158 O VAL A 482 57.892 15.618 0.624 1.00 0.00 O ATOM 1159 CB VAL A 482 60.010 13.295 -0.268 1.00 0.00 C ATOM 1160 CG1 VAL A 482 60.740 14.115 -1.338 1.00 0.00 C ATOM 1161 CG2 VAL A 482 60.493 13.723 1.118 1.00 0.00 C ATOM 0 H VAL A 482 58.852 12.771 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 482 57.967 13.098 0.480 1.00 0.00 H new ATOM 0 HB VAL A 482 60.224 12.237 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 482 61.814 13.947 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 482 60.399 13.808 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 482 60.527 15.174 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 482 61.568 13.562 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 482 60.272 14.780 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 482 59.983 13.133 1.879 1.00 0.00 H new ATOM 1171 N GLN A 483 58.215 15.606 -1.547 1.00 0.00 N ATOM 1172 CA GLN A 483 57.912 17.063 -1.657 1.00 0.00 C ATOM 1173 C GLN A 483 57.520 17.418 -3.094 1.00 0.00 C ATOM 1174 O GLN A 483 58.152 18.234 -3.734 1.00 0.00 O ATOM 1175 CB GLN A 483 59.213 17.765 -1.265 1.00 0.00 C ATOM 1176 CG GLN A 483 58.964 19.270 -1.139 1.00 0.00 C ATOM 1177 CD GLN A 483 60.283 20.024 -1.318 1.00 0.00 C ATOM 1178 OE1 GLN A 483 61.094 20.077 -0.415 1.00 0.00 O ATOM 1179 NE2 GLN A 483 60.534 20.614 -2.454 1.00 0.00 N ATOM 0 H GLN A 483 58.446 15.145 -2.427 1.00 0.00 H new ATOM 0 HA GLN A 483 57.078 17.361 -1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 483 59.583 17.367 -0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 483 59.981 17.574 -2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 483 58.243 19.594 -1.890 1.00 0.00 H new ATOM 0 HG3 GLN A 483 58.533 19.497 -0.164 1.00 0.00 H new ATOM 0 HE21 GLN A 483 59.854 20.570 -3.213 1.00 0.00 H new ATOM 0 HE22 GLN A 483 61.411 21.119 -2.584 1.00 0.00 H new ATOM 1188 N ILE A 484 56.481 16.811 -3.602 1.00 0.00 N ATOM 1189 CA ILE A 484 56.045 17.115 -4.996 1.00 0.00 C ATOM 1190 C ILE A 484 55.432 18.519 -5.058 1.00 0.00 C ATOM 1191 O ILE A 484 54.253 18.684 -5.305 1.00 0.00 O ATOM 1192 CB ILE A 484 55.002 16.045 -5.332 1.00 0.00 C ATOM 1193 CG1 ILE A 484 54.525 16.231 -6.775 1.00 0.00 C ATOM 1194 CG2 ILE A 484 53.807 16.164 -4.381 1.00 0.00 C ATOM 1195 CD1 ILE A 484 53.619 15.063 -7.172 1.00 0.00 C ATOM 0 H ILE A 484 55.915 16.118 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 484 56.873 17.101 -5.704 1.00 0.00 H new ATOM 0 HB ILE A 484 55.453 15.059 -5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 484 53.984 17.173 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 484 55.381 16.285 -7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 484 53.069 15.400 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 484 54.144 16.026 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 484 53.356 17.151 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 484 53.281 15.198 -8.199 1.00 0.00 H new ATOM 0 HD12 ILE A 484 54.174 14.128 -7.092 1.00 0.00 H new ATOM 0 HD13 ILE A 484 52.756 15.030 -6.507 1.00 0.00 H new ATOM 1207 N ALA A 485 56.226 19.531 -4.830 1.00 0.00 N ATOM 1208 CA ALA A 485 55.698 20.925 -4.869 1.00 0.00 C ATOM 1209 C ALA A 485 56.409 21.731 -5.961 1.00 0.00 C ATOM 1210 O ALA A 485 56.860 21.188 -6.950 1.00 0.00 O ATOM 1211 CB ALA A 485 56.006 21.499 -3.484 1.00 0.00 C ATOM 0 H ALA A 485 57.221 19.452 -4.618 1.00 0.00 H new ATOM 0 HA ALA A 485 54.633 20.960 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 485 55.648 22.527 -3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 485 55.507 20.900 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 485 57.082 21.480 -3.313 1.00 0.00 H new ATOM 1217 N ARG A 486 56.510 23.025 -5.791 1.00 0.00 N ATOM 1218 CA ARG A 486 57.192 23.869 -6.820 1.00 0.00 C ATOM 1219 C ARG A 486 58.586 23.314 -7.130 1.00 0.00 C ATOM 1220 O ARG A 486 59.267 22.802 -6.263 1.00 0.00 O ATOM 1221 CB ARG A 486 57.298 25.257 -6.186 1.00 0.00 C ATOM 1222 CG ARG A 486 57.376 26.318 -7.286 1.00 0.00 C ATOM 1223 CD ARG A 486 57.953 27.614 -6.707 1.00 0.00 C ATOM 1224 NE ARG A 486 57.016 28.684 -7.147 1.00 0.00 N ATOM 1225 CZ ARG A 486 57.367 29.511 -8.094 1.00 0.00 C ATOM 1226 NH1 ARG A 486 58.201 30.481 -7.837 1.00 0.00 N ATOM 1227 NH2 ARG A 486 56.883 29.369 -9.297 1.00 0.00 N ATOM 0 H ARG A 486 56.150 23.534 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 486 56.644 23.889 -7.762 1.00 0.00 H new ATOM 0 HB2 ARG A 486 56.435 25.443 -5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 486 58.182 25.311 -5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 486 58.002 25.963 -8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 486 56.384 26.502 -7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 486 58.016 27.567 -5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 486 58.962 27.796 -7.077 1.00 0.00 H new ATOM 0 HE ARG A 486 56.099 28.771 -6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 486 58.579 30.593 -6.896 1.00 0.00 H new ATOM 0 HH12 ARG A 486 58.475 31.127 -8.577 1.00 0.00 H new ATOM 0 HH21 ARG A 486 56.230 28.612 -9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 486 57.157 30.015 -10.037 1.00 0.00 H new ATOM 1241 N ALA A 487 59.012 23.412 -8.362 1.00 0.00 N ATOM 1242 CA ALA A 487 60.360 22.890 -8.731 1.00 0.00 C ATOM 1243 C ALA A 487 61.261 24.037 -9.198 1.00 0.00 C ATOM 1244 O ALA A 487 62.064 23.809 -10.089 1.00 0.00 O ATOM 1245 CB ALA A 487 60.105 21.910 -9.876 1.00 0.00 C ATOM 1246 OXT ALA A 487 61.133 25.122 -8.657 1.00 0.00 O ATOM 0 H ALA A 487 58.485 23.831 -9.128 1.00 0.00 H new ATOM 0 HA ALA A 487 60.863 22.413 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 487 61.051 21.481 -10.205 1.00 0.00 H new ATOM 0 HB2 ALA A 487 59.445 21.113 -9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 487 59.636 22.436 -10.708 1.00 0.00 H new TER 1252 ALA A 487 HETATM 1253 ZN ZN A 488 64.887 0.240 -5.379 1.00 0.00 ZN HETATM 1254 ZN ZN A 489 55.747 7.219 -3.104 1.00 0.00 ZN