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 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 477 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 434 TYR OH : rot 180:sc= -1.37 USER MOD Set 2.2: A 457 GLN : amide:sc= -0.0132 K(o=-1.4,f=-3!) USER MOD Set 3.1: A 420 CYS SG : rot 48:sc= -2.13 USER MOD Set 3.2: A 459 MET CE :methyl 168:sc= -3.52 (180deg=-3.7!) USER MOD Single : A 410 SER OG : rot 180:sc= 0 USER MOD Single : A 415 TYR OH : rot 180:sc= 0 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot -54:sc= 0.644 USER MOD Single : A 428 ASN : amide:sc= -0.0228 K(o=-0.023,f=-1.7!) USER MOD Single : A 429 THR OG1 : rot -33:sc= 0.78 USER MOD Single : A 435 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0.0778 USER MOD Single : A 439 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.1) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 MET CE :methyl -121:sc= -5.14! (180deg=-8.9!) USER MOD Single : A 445 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 147:sc= 0.913 USER MOD Single : A 448 HIS : no HD1:sc= -0.52 K(o=-0.52,f=-1.3) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 468 HIS :FLIP no HD1:sc= -1.16 F(o=-2.9!,f=-1.2) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 31:sc= 0.472 USER MOD Single : A 474 ASN : amide:sc= -0.628 K(o=-0.63,f=-6.6!) USER MOD Single : A 476 TYR OH : rot -29:sc= -3.35! USER MOD Single : A 479 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.47) USER MOD Single : A 483 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 406 72.885 -17.948 -6.266 1.00 0.00 N ATOM 2 CA GLY A 406 73.885 -18.920 -6.794 1.00 0.00 C ATOM 3 C GLY A 406 73.181 -20.230 -7.161 1.00 0.00 C ATOM 4 O GLY A 406 72.871 -20.463 -8.312 1.00 0.00 O ATOM 0 HA2 GLY A 406 74.384 -18.505 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 406 74.656 -19.106 -6.047 1.00 0.00 H new ATOM 10 N PRO A 407 72.950 -21.047 -6.165 1.00 0.00 N ATOM 11 CA PRO A 407 72.273 -22.348 -6.392 1.00 0.00 C ATOM 12 C PRO A 407 70.784 -22.135 -6.684 1.00 0.00 C ATOM 13 O PRO A 407 70.144 -22.950 -7.319 1.00 0.00 O ATOM 14 CB PRO A 407 72.468 -23.090 -5.073 1.00 0.00 C ATOM 15 CG PRO A 407 72.657 -22.017 -4.049 1.00 0.00 C ATOM 16 CD PRO A 407 73.290 -20.843 -4.750 1.00 0.00 C ATOM 0 HA PRO A 407 72.673 -22.895 -7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 407 71.604 -23.711 -4.838 1.00 0.00 H new ATOM 0 HB3 PRO A 407 73.334 -23.751 -5.116 1.00 0.00 H new ATOM 0 HG2 PRO A 407 71.702 -21.733 -3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 407 73.292 -22.368 -3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 407 72.897 -19.897 -4.378 1.00 0.00 H new ATOM 0 HD3 PRO A 407 74.369 -20.822 -4.598 1.00 0.00 H new ATOM 24 N LEU A 408 70.229 -21.042 -6.223 1.00 0.00 N ATOM 25 CA LEU A 408 68.779 -20.770 -6.471 1.00 0.00 C ATOM 26 C LEU A 408 67.926 -21.951 -5.997 1.00 0.00 C ATOM 27 O LEU A 408 68.420 -22.883 -5.393 1.00 0.00 O ATOM 28 CB LEU A 408 68.655 -20.590 -7.987 1.00 0.00 C ATOM 29 CG LEU A 408 68.279 -19.141 -8.304 1.00 0.00 C ATOM 30 CD1 LEU A 408 68.548 -18.854 -9.782 1.00 0.00 C ATOM 31 CD2 LEU A 408 66.793 -18.926 -8.006 1.00 0.00 C ATOM 0 H LEU A 408 70.717 -20.326 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 408 68.430 -19.891 -5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 408 69.597 -20.846 -8.472 1.00 0.00 H new ATOM 0 HB3 LEU A 408 67.898 -21.267 -8.383 1.00 0.00 H new ATOM 0 HG LEU A 408 68.877 -18.468 -7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 408 68.280 -17.822 -10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 408 69.605 -19.009 -9.996 1.00 0.00 H new ATOM 0 HD13 LEU A 408 67.951 -19.526 -10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 408 66.522 -17.894 -8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 408 66.197 -19.600 -8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 408 66.600 -19.130 -6.953 1.00 0.00 H new ATOM 43 N GLY A 409 66.648 -21.917 -6.267 1.00 0.00 N ATOM 44 CA GLY A 409 65.761 -23.035 -5.833 1.00 0.00 C ATOM 45 C GLY A 409 64.614 -22.481 -4.986 1.00 0.00 C ATOM 46 O GLY A 409 64.324 -22.978 -3.916 1.00 0.00 O ATOM 0 H GLY A 409 66.180 -21.163 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 409 65.364 -23.557 -6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 409 66.332 -23.764 -5.258 1.00 0.00 H new ATOM 50 N SER A 410 63.960 -21.453 -5.459 1.00 0.00 N ATOM 51 CA SER A 410 62.829 -20.864 -4.682 1.00 0.00 C ATOM 52 C SER A 410 61.924 -20.039 -5.607 1.00 0.00 C ATOM 53 O SER A 410 62.381 -19.111 -6.245 1.00 0.00 O ATOM 54 CB SER A 410 63.493 -19.964 -3.641 1.00 0.00 C ATOM 55 OG SER A 410 62.569 -19.694 -2.595 1.00 0.00 O ATOM 0 H SER A 410 64.160 -20.996 -6.349 1.00 0.00 H new ATOM 0 HA SER A 410 62.201 -21.627 -4.222 1.00 0.00 H new ATOM 0 HB2 SER A 410 64.383 -20.448 -3.239 1.00 0.00 H new ATOM 0 HB3 SER A 410 63.819 -19.032 -4.104 1.00 0.00 H new ATOM 0 HG SER A 410 62.993 -19.118 -1.925 1.00 0.00 H new ATOM 61 N PRO A 411 60.664 -20.401 -5.653 1.00 0.00 N ATOM 62 CA PRO A 411 59.700 -19.672 -6.516 1.00 0.00 C ATOM 63 C PRO A 411 59.385 -18.295 -5.921 1.00 0.00 C ATOM 64 O PRO A 411 60.088 -17.807 -5.059 1.00 0.00 O ATOM 65 CB PRO A 411 58.463 -20.566 -6.507 1.00 0.00 C ATOM 66 CG PRO A 411 58.559 -21.348 -5.237 1.00 0.00 C ATOM 67 CD PRO A 411 60.023 -21.504 -4.923 1.00 0.00 C ATOM 0 HA PRO A 411 60.078 -19.488 -7.522 1.00 0.00 H new ATOM 0 HB2 PRO A 411 57.548 -19.974 -6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 411 58.446 -21.224 -7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 411 58.044 -20.832 -4.427 1.00 0.00 H new ATOM 0 HG3 PRO A 411 58.083 -22.322 -5.348 1.00 0.00 H new ATOM 0 HD2 PRO A 411 60.211 -21.435 -3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 411 60.400 -22.472 -5.251 1.00 0.00 H new ATOM 75 N GLU A 412 58.331 -17.669 -6.376 1.00 0.00 N ATOM 76 CA GLU A 412 57.961 -16.321 -5.841 1.00 0.00 C ATOM 77 C GLU A 412 59.136 -15.349 -5.986 1.00 0.00 C ATOM 78 O GLU A 412 60.182 -15.698 -6.498 1.00 0.00 O ATOM 79 CB GLU A 412 57.633 -16.551 -4.364 1.00 0.00 C ATOM 80 CG GLU A 412 56.520 -15.593 -3.933 1.00 0.00 C ATOM 81 CD GLU A 412 55.662 -16.258 -2.856 1.00 0.00 C ATOM 82 OE1 GLU A 412 55.021 -17.249 -3.164 1.00 0.00 O ATOM 83 OE2 GLU A 412 55.660 -15.765 -1.739 1.00 0.00 O ATOM 0 H GLU A 412 57.708 -18.033 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 412 57.121 -15.884 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 412 57.320 -17.583 -4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 412 58.522 -16.391 -3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 412 56.950 -14.668 -3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 412 55.903 -15.326 -4.791 1.00 0.00 H new ATOM 90 N PHE A 413 58.969 -14.132 -5.541 1.00 0.00 N ATOM 91 CA PHE A 413 60.074 -13.136 -5.653 1.00 0.00 C ATOM 92 C PHE A 413 60.159 -12.297 -4.374 1.00 0.00 C ATOM 93 O PHE A 413 59.157 -11.899 -3.814 1.00 0.00 O ATOM 94 CB PHE A 413 59.696 -12.258 -6.849 1.00 0.00 C ATOM 95 CG PHE A 413 60.775 -12.346 -7.902 1.00 0.00 C ATOM 96 CD1 PHE A 413 61.916 -11.539 -7.807 1.00 0.00 C ATOM 97 CD2 PHE A 413 60.635 -13.234 -8.976 1.00 0.00 C ATOM 98 CE1 PHE A 413 62.915 -11.621 -8.783 1.00 0.00 C ATOM 99 CE2 PHE A 413 61.634 -13.316 -9.952 1.00 0.00 C ATOM 100 CZ PHE A 413 62.775 -12.509 -9.856 1.00 0.00 C ATOM 0 H PHE A 413 58.115 -13.785 -5.105 1.00 0.00 H new ATOM 0 HA PHE A 413 61.047 -13.609 -5.787 1.00 0.00 H new ATOM 0 HB2 PHE A 413 58.741 -12.582 -7.264 1.00 0.00 H new ATOM 0 HB3 PHE A 413 59.570 -11.224 -6.529 1.00 0.00 H new ATOM 0 HD1 PHE A 413 62.025 -10.853 -6.980 1.00 0.00 H new ATOM 0 HD2 PHE A 413 59.755 -13.856 -9.051 1.00 0.00 H new ATOM 0 HE1 PHE A 413 63.795 -10.999 -8.709 1.00 0.00 H new ATOM 0 HE2 PHE A 413 61.526 -14.001 -10.779 1.00 0.00 H new ATOM 0 HZ PHE A 413 63.546 -12.572 -10.609 1.00 0.00 H new ATOM 110 N GLY A 414 61.351 -12.027 -3.910 1.00 0.00 N ATOM 111 CA GLY A 414 61.504 -11.215 -2.669 1.00 0.00 C ATOM 112 C GLY A 414 61.284 -9.738 -2.995 1.00 0.00 C ATOM 113 O GLY A 414 60.286 -9.364 -3.580 1.00 0.00 O ATOM 0 H GLY A 414 62.225 -12.334 -4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 414 60.787 -11.543 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 414 62.498 -11.361 -2.247 1.00 0.00 H new ATOM 117 N TYR A 415 62.209 -8.894 -2.623 1.00 0.00 N ATOM 118 CA TYR A 415 62.053 -7.438 -2.910 1.00 0.00 C ATOM 119 C TYR A 415 62.893 -7.046 -4.129 1.00 0.00 C ATOM 120 O TYR A 415 63.316 -5.915 -4.267 1.00 0.00 O ATOM 121 CB TYR A 415 62.562 -6.732 -1.655 1.00 0.00 C ATOM 122 CG TYR A 415 61.401 -6.461 -0.732 1.00 0.00 C ATOM 123 CD1 TYR A 415 60.311 -5.710 -1.187 1.00 0.00 C ATOM 124 CD2 TYR A 415 61.410 -6.961 0.576 1.00 0.00 C ATOM 125 CE1 TYR A 415 59.230 -5.458 -0.334 1.00 0.00 C ATOM 126 CE2 TYR A 415 60.329 -6.709 1.429 1.00 0.00 C ATOM 127 CZ TYR A 415 59.239 -5.957 0.974 1.00 0.00 C ATOM 128 OH TYR A 415 58.173 -5.708 1.815 1.00 0.00 O ATOM 0 H TYR A 415 63.066 -9.150 -2.133 1.00 0.00 H new ATOM 0 HA TYR A 415 61.022 -7.169 -3.138 1.00 0.00 H new ATOM 0 HB2 TYR A 415 63.305 -7.350 -1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 415 63.054 -5.797 -1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 415 60.304 -5.325 -2.196 1.00 0.00 H new ATOM 0 HD2 TYR A 415 62.251 -7.541 0.927 1.00 0.00 H new ATOM 0 HE1 TYR A 415 58.389 -4.879 -0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 415 60.336 -7.095 2.438 1.00 0.00 H new ATOM 0 HH TYR A 415 58.339 -6.126 2.686 1.00 0.00 H new ATOM 138 N TRP A 416 63.130 -7.974 -5.015 1.00 0.00 N ATOM 139 CA TRP A 416 63.936 -7.666 -6.232 1.00 0.00 C ATOM 140 C TRP A 416 63.037 -7.021 -7.293 1.00 0.00 C ATOM 141 O TRP A 416 62.899 -7.524 -8.390 1.00 0.00 O ATOM 142 CB TRP A 416 64.448 -9.026 -6.717 1.00 0.00 C ATOM 143 CG TRP A 416 65.159 -9.715 -5.596 1.00 0.00 C ATOM 144 CD1 TRP A 416 64.839 -10.932 -5.098 1.00 0.00 C ATOM 145 CD2 TRP A 416 66.296 -9.243 -4.824 1.00 0.00 C ATOM 146 NE1 TRP A 416 65.711 -11.235 -4.068 1.00 0.00 N ATOM 147 CE2 TRP A 416 66.629 -10.224 -3.861 1.00 0.00 C ATOM 148 CE3 TRP A 416 67.063 -8.069 -4.868 1.00 0.00 C ATOM 149 CZ2 TRP A 416 67.689 -10.043 -2.970 1.00 0.00 C ATOM 150 CZ3 TRP A 416 68.129 -7.883 -3.978 1.00 0.00 C ATOM 151 CH2 TRP A 416 68.443 -8.866 -3.030 1.00 0.00 C ATOM 0 H TRP A 416 62.799 -8.937 -4.949 1.00 0.00 H new ATOM 0 HA TRP A 416 64.753 -6.972 -6.033 1.00 0.00 H new ATOM 0 HB2 TRP A 416 63.616 -9.638 -7.065 1.00 0.00 H new ATOM 0 HB3 TRP A 416 65.122 -8.893 -7.563 1.00 0.00 H new ATOM 0 HD1 TRP A 416 64.035 -11.563 -5.447 1.00 0.00 H new ATOM 0 HE1 TRP A 416 65.680 -12.099 -3.527 1.00 0.00 H new ATOM 0 HE3 TRP A 416 66.830 -7.303 -5.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 67.925 -10.805 -2.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 68.713 -6.976 -4.023 1.00 0.00 H new ATOM 0 HH2 TRP A 416 69.266 -8.715 -2.347 1.00 0.00 H new ATOM 162 N ILE A 417 62.410 -5.920 -6.967 1.00 0.00 N ATOM 163 CA ILE A 417 61.503 -5.258 -7.953 1.00 0.00 C ATOM 164 C ILE A 417 61.947 -3.817 -8.226 1.00 0.00 C ATOM 165 O ILE A 417 63.072 -3.440 -7.960 1.00 0.00 O ATOM 166 CB ILE A 417 60.121 -5.277 -7.290 1.00 0.00 C ATOM 167 CG1 ILE A 417 60.148 -4.439 -6.003 1.00 0.00 C ATOM 168 CG2 ILE A 417 59.744 -6.719 -6.946 1.00 0.00 C ATOM 169 CD1 ILE A 417 59.064 -3.362 -6.071 1.00 0.00 C ATOM 0 H ILE A 417 62.486 -5.452 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 417 61.508 -5.769 -8.916 1.00 0.00 H new ATOM 0 HB ILE A 417 59.387 -4.857 -7.978 1.00 0.00 H new ATOM 0 HG12 ILE A 417 59.985 -5.079 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 417 61.127 -3.977 -5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 417 58.762 -6.736 -6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 417 59.719 -7.316 -7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 417 60.483 -7.135 -6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 417 59.084 -2.768 -5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 417 59.247 -2.715 -6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 417 58.087 -3.835 -6.175 1.00 0.00 H new ATOM 181 N THR A 418 61.064 -3.013 -8.756 1.00 0.00 N ATOM 182 CA THR A 418 61.419 -1.594 -9.051 1.00 0.00 C ATOM 183 C THR A 418 60.703 -0.656 -8.075 1.00 0.00 C ATOM 184 O THR A 418 59.527 -0.378 -8.209 1.00 0.00 O ATOM 185 CB THR A 418 60.938 -1.344 -10.485 1.00 0.00 C ATOM 186 OG1 THR A 418 60.860 -2.578 -11.187 1.00 0.00 O ATOM 187 CG2 THR A 418 61.922 -0.415 -11.196 1.00 0.00 C ATOM 0 H THR A 418 60.109 -3.279 -8.998 1.00 0.00 H new ATOM 0 HA THR A 418 62.488 -1.410 -8.946 1.00 0.00 H new ATOM 0 HB THR A 418 59.951 -0.881 -10.459 1.00 0.00 H new ATOM 0 HG1 THR A 418 60.551 -2.415 -12.102 1.00 0.00 H new ATOM 0 HG21 THR A 418 61.581 -0.236 -12.216 1.00 0.00 H new ATOM 0 HG22 THR A 418 61.979 0.533 -10.661 1.00 0.00 H new ATOM 0 HG23 THR A 418 62.908 -0.878 -11.219 1.00 0.00 H new ATOM 195 N CYS A 419 61.411 -0.167 -7.093 1.00 0.00 N ATOM 196 CA CYS A 419 60.792 0.755 -6.094 1.00 0.00 C ATOM 197 C CYS A 419 60.551 2.141 -6.717 1.00 0.00 C ATOM 198 O CYS A 419 59.923 2.996 -6.122 1.00 0.00 O ATOM 199 CB CYS A 419 61.816 0.808 -4.953 1.00 0.00 C ATOM 200 SG CYS A 419 63.003 2.154 -5.201 1.00 0.00 S ATOM 0 H CYS A 419 62.399 -0.367 -6.938 1.00 0.00 H new ATOM 0 HA CYS A 419 59.815 0.419 -5.746 1.00 0.00 H new ATOM 0 HB2 CYS A 419 61.299 0.945 -4.003 1.00 0.00 H new ATOM 0 HB3 CYS A 419 62.347 -0.142 -4.893 1.00 0.00 H new ATOM 205 N CYS A 420 61.047 2.365 -7.905 1.00 0.00 N ATOM 206 CA CYS A 420 60.854 3.689 -8.567 1.00 0.00 C ATOM 207 C CYS A 420 60.856 3.506 -10.093 1.00 0.00 C ATOM 208 O CYS A 420 60.873 2.389 -10.573 1.00 0.00 O ATOM 209 CB CYS A 420 62.052 4.526 -8.109 1.00 0.00 C ATOM 210 SG CYS A 420 61.468 5.992 -7.217 1.00 0.00 S ATOM 0 H CYS A 420 61.580 1.685 -8.448 1.00 0.00 H new ATOM 0 HA CYS A 420 59.908 4.165 -8.308 1.00 0.00 H new ATOM 0 HB2 CYS A 420 62.699 3.930 -7.465 1.00 0.00 H new ATOM 0 HB3 CYS A 420 62.649 4.826 -8.970 1.00 0.00 H new ATOM 0 HG CYS A 420 60.578 5.639 -6.337 1.00 0.00 H new ATOM 216 N PRO A 421 60.834 4.601 -10.814 1.00 0.00 N ATOM 217 CA PRO A 421 60.831 4.521 -12.293 1.00 0.00 C ATOM 218 C PRO A 421 62.243 4.236 -12.819 1.00 0.00 C ATOM 219 O PRO A 421 62.432 3.926 -13.979 1.00 0.00 O ATOM 220 CB PRO A 421 60.347 5.901 -12.726 1.00 0.00 C ATOM 221 CG PRO A 421 60.689 6.821 -11.595 1.00 0.00 C ATOM 222 CD PRO A 421 60.813 5.991 -10.340 1.00 0.00 C ATOM 0 HA PRO A 421 60.202 3.718 -12.679 1.00 0.00 H new ATOM 0 HB2 PRO A 421 60.835 6.216 -13.649 1.00 0.00 H new ATOM 0 HB3 PRO A 421 59.274 5.898 -12.918 1.00 0.00 H new ATOM 0 HG2 PRO A 421 61.623 7.345 -11.799 1.00 0.00 H new ATOM 0 HG3 PRO A 421 59.917 7.581 -11.475 1.00 0.00 H new ATOM 0 HD2 PRO A 421 61.722 6.236 -9.791 1.00 0.00 H new ATOM 0 HD3 PRO A 421 59.976 6.167 -9.665 1.00 0.00 H new ATOM 230 N THR A 422 63.235 4.332 -11.972 1.00 0.00 N ATOM 231 CA THR A 422 64.633 4.059 -12.414 1.00 0.00 C ATOM 232 C THR A 422 65.371 3.265 -11.332 1.00 0.00 C ATOM 233 O THR A 422 66.430 3.652 -10.875 1.00 0.00 O ATOM 234 CB THR A 422 65.270 5.438 -12.602 1.00 0.00 C ATOM 235 OG1 THR A 422 66.629 5.280 -12.985 1.00 0.00 O ATOM 236 CG2 THR A 422 65.197 6.231 -11.293 1.00 0.00 C ATOM 0 H THR A 422 63.135 4.589 -10.990 1.00 0.00 H new ATOM 0 HA THR A 422 64.674 3.470 -13.330 1.00 0.00 H new ATOM 0 HB THR A 422 64.730 5.980 -13.378 1.00 0.00 H new ATOM 0 HG1 THR A 422 67.088 4.708 -12.335 1.00 0.00 H new ATOM 0 HG21 THR A 422 65.652 7.211 -11.435 1.00 0.00 H new ATOM 0 HG22 THR A 422 64.154 6.354 -11.000 1.00 0.00 H new ATOM 0 HG23 THR A 422 65.732 5.692 -10.511 1.00 0.00 H new ATOM 244 N CYS A 423 64.812 2.159 -10.915 1.00 0.00 N ATOM 245 CA CYS A 423 65.468 1.339 -9.857 1.00 0.00 C ATOM 246 C CYS A 423 66.132 0.102 -10.469 1.00 0.00 C ATOM 247 O CYS A 423 65.804 -0.316 -11.562 1.00 0.00 O ATOM 248 CB CYS A 423 64.331 0.929 -8.920 1.00 0.00 C ATOM 249 SG CYS A 423 64.992 -0.058 -7.553 1.00 0.00 S ATOM 0 H CYS A 423 63.928 1.789 -11.263 1.00 0.00 H new ATOM 0 HA CYS A 423 66.253 1.889 -9.337 1.00 0.00 H new ATOM 0 HB2 CYS A 423 63.829 1.815 -8.532 1.00 0.00 H new ATOM 0 HB3 CYS A 423 63.584 0.354 -9.468 1.00 0.00 H new ATOM 254 N ASP A 424 67.060 -0.487 -9.764 1.00 0.00 N ATOM 255 CA ASP A 424 67.750 -1.702 -10.286 1.00 0.00 C ATOM 256 C ASP A 424 68.210 -2.577 -9.116 1.00 0.00 C ATOM 257 O ASP A 424 69.247 -3.210 -9.171 1.00 0.00 O ATOM 258 CB ASP A 424 68.952 -1.171 -11.068 1.00 0.00 C ATOM 259 CG ASP A 424 69.680 -2.338 -11.739 1.00 0.00 C ATOM 260 OD1 ASP A 424 69.054 -3.024 -12.529 1.00 0.00 O ATOM 261 OD2 ASP A 424 70.850 -2.524 -11.451 1.00 0.00 O ATOM 0 H ASP A 424 67.372 -0.177 -8.844 1.00 0.00 H new ATOM 0 HA ASP A 424 67.102 -2.316 -10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 424 68.622 -0.454 -11.820 1.00 0.00 H new ATOM 0 HB3 ASP A 424 69.630 -0.642 -10.398 1.00 0.00 H new ATOM 266 N VAL A 425 67.444 -2.611 -8.058 1.00 0.00 N ATOM 267 CA VAL A 425 67.828 -3.439 -6.877 1.00 0.00 C ATOM 268 C VAL A 425 67.767 -4.927 -7.231 1.00 0.00 C ATOM 269 O VAL A 425 66.731 -5.453 -7.587 1.00 0.00 O ATOM 270 CB VAL A 425 66.803 -3.083 -5.795 1.00 0.00 C ATOM 271 CG1 VAL A 425 66.862 -4.099 -4.649 1.00 0.00 C ATOM 272 CG2 VAL A 425 67.120 -1.692 -5.246 1.00 0.00 C ATOM 0 H VAL A 425 66.567 -2.100 -7.960 1.00 0.00 H new ATOM 0 HA VAL A 425 68.847 -3.244 -6.543 1.00 0.00 H new ATOM 0 HB VAL A 425 65.805 -3.099 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 425 66.128 -3.833 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 425 66.641 -5.095 -5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 425 67.859 -4.093 -4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 425 66.395 -1.431 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 425 68.122 -1.690 -4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 425 67.069 -0.962 -6.054 1.00 0.00 H new ATOM 282 N ASP A 426 68.878 -5.603 -7.130 1.00 0.00 N ATOM 283 CA ASP A 426 68.907 -7.059 -7.451 1.00 0.00 C ATOM 284 C ASP A 426 70.042 -7.733 -6.679 1.00 0.00 C ATOM 285 O ASP A 426 71.126 -7.198 -6.564 1.00 0.00 O ATOM 286 CB ASP A 426 69.161 -7.129 -8.957 1.00 0.00 C ATOM 287 CG ASP A 426 67.838 -7.361 -9.688 1.00 0.00 C ATOM 288 OD1 ASP A 426 67.215 -8.379 -9.437 1.00 0.00 O ATOM 289 OD2 ASP A 426 67.469 -6.516 -10.487 1.00 0.00 O ATOM 0 H ASP A 426 69.772 -5.208 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 426 67.983 -7.568 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 426 69.622 -6.203 -9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 426 69.859 -7.936 -9.182 1.00 0.00 H new ATOM 294 N ILE A 427 69.800 -8.900 -6.144 1.00 0.00 N ATOM 295 CA ILE A 427 70.868 -9.602 -5.373 1.00 0.00 C ATOM 296 C ILE A 427 72.140 -9.735 -6.217 1.00 0.00 C ATOM 297 O ILE A 427 73.240 -9.724 -5.700 1.00 0.00 O ATOM 298 CB ILE A 427 70.288 -10.976 -5.041 1.00 0.00 C ATOM 299 CG1 ILE A 427 71.299 -11.763 -4.202 1.00 0.00 C ATOM 300 CG2 ILE A 427 69.987 -11.738 -6.335 1.00 0.00 C ATOM 301 CD1 ILE A 427 70.769 -11.925 -2.775 1.00 0.00 C ATOM 0 H ILE A 427 68.911 -9.397 -6.207 1.00 0.00 H new ATOM 0 HA ILE A 427 71.149 -9.056 -4.473 1.00 0.00 H new ATOM 0 HB ILE A 427 69.363 -10.853 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 427 71.474 -12.742 -4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 427 72.257 -11.244 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 427 69.574 -12.717 -6.093 1.00 0.00 H new ATOM 0 HG22 ILE A 427 69.266 -11.176 -6.929 1.00 0.00 H new ATOM 0 HG23 ILE A 427 70.907 -11.864 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 427 71.490 -12.485 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 427 70.617 -10.942 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 427 69.821 -12.463 -2.798 1.00 0.00 H new ATOM 313 N ASN A 428 71.999 -9.851 -7.512 1.00 0.00 N ATOM 314 CA ASN A 428 73.205 -9.972 -8.385 1.00 0.00 C ATOM 315 C ASN A 428 74.158 -8.805 -8.114 1.00 0.00 C ATOM 316 O ASN A 428 75.355 -8.906 -8.304 1.00 0.00 O ATOM 317 CB ASN A 428 72.672 -9.910 -9.817 1.00 0.00 C ATOM 318 CG ASN A 428 73.799 -10.243 -10.797 1.00 0.00 C ATOM 319 OD1 ASN A 428 74.750 -10.912 -10.444 1.00 0.00 O ATOM 320 ND2 ASN A 428 73.734 -9.798 -12.023 1.00 0.00 N ATOM 0 H ASN A 428 71.104 -9.867 -8.002 1.00 0.00 H new ATOM 0 HA ASN A 428 73.760 -10.892 -8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 428 71.849 -10.614 -9.941 1.00 0.00 H new ATOM 0 HB3 ASN A 428 72.276 -8.916 -10.026 1.00 0.00 H new ATOM 0 HD21 ASN A 428 74.481 -10.012 -12.684 1.00 0.00 H new ATOM 0 HD22 ASN A 428 72.936 -9.236 -12.320 1.00 0.00 H new ATOM 327 N THR A 429 73.629 -7.700 -7.659 1.00 0.00 N ATOM 328 CA THR A 429 74.489 -6.520 -7.358 1.00 0.00 C ATOM 329 C THR A 429 74.100 -5.914 -6.003 1.00 0.00 C ATOM 330 O THR A 429 74.551 -4.845 -5.641 1.00 0.00 O ATOM 331 CB THR A 429 74.217 -5.527 -8.492 1.00 0.00 C ATOM 332 OG1 THR A 429 74.974 -4.345 -8.273 1.00 0.00 O ATOM 333 CG2 THR A 429 72.727 -5.182 -8.531 1.00 0.00 C ATOM 0 H THR A 429 72.634 -7.564 -7.482 1.00 0.00 H new ATOM 0 HA THR A 429 75.545 -6.784 -7.296 1.00 0.00 H new ATOM 0 HB THR A 429 74.505 -5.975 -9.443 1.00 0.00 H new ATOM 0 HG1 THR A 429 75.059 -4.185 -7.310 1.00 0.00 H new ATOM 0 HG21 THR A 429 72.538 -4.475 -9.339 1.00 0.00 H new ATOM 0 HG22 THR A 429 72.148 -6.090 -8.700 1.00 0.00 H new ATOM 0 HG23 THR A 429 72.432 -4.735 -7.582 1.00 0.00 H new ATOM 341 N TRP A 430 73.266 -6.589 -5.250 1.00 0.00 N ATOM 342 CA TRP A 430 72.853 -6.051 -3.920 1.00 0.00 C ATOM 343 C TRP A 430 73.493 -6.861 -2.794 1.00 0.00 C ATOM 344 O TRP A 430 74.028 -7.932 -3.011 1.00 0.00 O ATOM 345 CB TRP A 430 71.338 -6.220 -3.864 1.00 0.00 C ATOM 346 CG TRP A 430 70.810 -5.501 -2.676 1.00 0.00 C ATOM 347 CD1 TRP A 430 70.465 -4.194 -2.601 1.00 0.00 C ATOM 348 CD2 TRP A 430 70.576 -6.061 -1.383 1.00 0.00 C ATOM 349 NE1 TRP A 430 70.028 -3.932 -1.310 1.00 0.00 N ATOM 350 CE2 TRP A 430 70.082 -5.066 -0.520 1.00 0.00 C ATOM 351 CE3 TRP A 430 70.755 -7.345 -0.903 1.00 0.00 C ATOM 352 CZ2 TRP A 430 69.770 -5.353 0.810 1.00 0.00 C ATOM 353 CZ3 TRP A 430 70.448 -7.656 0.431 1.00 0.00 C ATOM 354 CH2 TRP A 430 69.956 -6.658 1.290 1.00 0.00 C ATOM 0 H TRP A 430 72.855 -7.488 -5.500 1.00 0.00 H new ATOM 0 HA TRP A 430 73.162 -5.013 -3.799 1.00 0.00 H new ATOM 0 HB2 TRP A 430 70.882 -5.828 -4.773 1.00 0.00 H new ATOM 0 HB3 TRP A 430 71.080 -7.278 -3.808 1.00 0.00 H new ATOM 0 HD1 TRP A 430 70.520 -3.478 -3.408 1.00 0.00 H new ATOM 0 HE1 TRP A 430 69.708 -3.020 -0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 430 71.134 -8.115 -1.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 430 69.390 -4.580 1.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 430 70.590 -8.662 0.797 1.00 0.00 H new ATOM 0 HH2 TRP A 430 69.722 -6.895 2.317 1.00 0.00 H new ATOM 365 N VAL A 431 73.425 -6.361 -1.590 1.00 0.00 N ATOM 366 CA VAL A 431 74.012 -7.098 -0.433 1.00 0.00 C ATOM 367 C VAL A 431 73.292 -6.696 0.861 1.00 0.00 C ATOM 368 O VAL A 431 72.622 -5.683 0.904 1.00 0.00 O ATOM 369 CB VAL A 431 75.478 -6.669 -0.379 1.00 0.00 C ATOM 370 CG1 VAL A 431 76.211 -7.161 -1.627 1.00 0.00 C ATOM 371 CG2 VAL A 431 75.568 -5.142 -0.304 1.00 0.00 C ATOM 0 H VAL A 431 72.986 -5.470 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 431 73.911 -8.178 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 431 75.942 -7.104 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 431 77.255 -6.851 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 431 76.157 -8.249 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 431 75.745 -6.734 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 431 76.615 -4.841 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 431 75.097 -4.706 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 431 75.056 -4.791 0.592 1.00 0.00 H new ATOM 381 N PRO A 432 73.456 -7.502 1.880 1.00 0.00 N ATOM 382 CA PRO A 432 72.811 -7.211 3.184 1.00 0.00 C ATOM 383 C PRO A 432 73.510 -6.033 3.869 1.00 0.00 C ATOM 384 O PRO A 432 74.629 -6.146 4.332 1.00 0.00 O ATOM 385 CB PRO A 432 73.008 -8.500 3.979 1.00 0.00 C ATOM 386 CG PRO A 432 74.207 -9.152 3.369 1.00 0.00 C ATOM 387 CD PRO A 432 74.243 -8.743 1.919 1.00 0.00 C ATOM 0 HA PRO A 432 71.761 -6.932 3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 432 73.168 -8.291 5.037 1.00 0.00 H new ATOM 0 HB3 PRO A 432 72.131 -9.144 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 432 75.118 -8.839 3.880 1.00 0.00 H new ATOM 0 HG3 PRO A 432 74.145 -10.236 3.462 1.00 0.00 H new ATOM 0 HD2 PRO A 432 75.264 -8.579 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 432 73.810 -9.510 1.277 1.00 0.00 H new ATOM 395 N PHE A 433 72.861 -4.901 3.932 1.00 0.00 N ATOM 396 CA PHE A 433 73.488 -3.711 4.580 1.00 0.00 C ATOM 397 C PHE A 433 72.794 -3.398 5.909 1.00 0.00 C ATOM 398 O PHE A 433 73.379 -2.818 6.802 1.00 0.00 O ATOM 399 CB PHE A 433 73.276 -2.567 3.587 1.00 0.00 C ATOM 400 CG PHE A 433 74.524 -1.720 3.517 1.00 0.00 C ATOM 401 CD1 PHE A 433 75.021 -1.108 4.674 1.00 0.00 C ATOM 402 CD2 PHE A 433 75.184 -1.546 2.295 1.00 0.00 C ATOM 403 CE1 PHE A 433 76.178 -0.323 4.609 1.00 0.00 C ATOM 404 CE2 PHE A 433 76.341 -0.761 2.229 1.00 0.00 C ATOM 405 CZ PHE A 433 76.838 -0.149 3.387 1.00 0.00 C ATOM 0 H PHE A 433 71.923 -4.748 3.562 1.00 0.00 H new ATOM 0 HA PHE A 433 74.542 -3.873 4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 433 73.040 -2.967 2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 433 72.427 -1.957 3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 433 74.512 -1.242 5.617 1.00 0.00 H new ATOM 0 HD2 PHE A 433 74.800 -2.018 1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 433 76.562 0.148 5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 433 76.850 -0.627 1.286 1.00 0.00 H new ATOM 0 HZ PHE A 433 77.730 0.457 3.337 1.00 0.00 H new ATOM 415 N TYR A 434 71.551 -3.773 6.043 1.00 0.00 N ATOM 416 CA TYR A 434 70.817 -3.491 7.314 1.00 0.00 C ATOM 417 C TYR A 434 71.013 -4.644 8.303 1.00 0.00 C ATOM 418 O TYR A 434 71.391 -5.737 7.927 1.00 0.00 O ATOM 419 CB TYR A 434 69.341 -3.372 6.914 1.00 0.00 C ATOM 420 CG TYR A 434 69.215 -2.539 5.659 1.00 0.00 C ATOM 421 CD1 TYR A 434 69.351 -1.147 5.722 1.00 0.00 C ATOM 422 CD2 TYR A 434 68.965 -3.162 4.431 1.00 0.00 C ATOM 423 CE1 TYR A 434 69.237 -0.378 4.557 1.00 0.00 C ATOM 424 CE2 TYR A 434 68.851 -2.395 3.266 1.00 0.00 C ATOM 425 CZ TYR A 434 68.987 -1.003 3.330 1.00 0.00 C ATOM 426 OH TYR A 434 68.873 -0.248 2.182 1.00 0.00 O ATOM 0 H TYR A 434 71.011 -4.262 5.329 1.00 0.00 H new ATOM 0 HA TYR A 434 71.177 -2.585 7.802 1.00 0.00 H new ATOM 0 HB2 TYR A 434 68.919 -4.363 6.747 1.00 0.00 H new ATOM 0 HB3 TYR A 434 68.771 -2.915 7.723 1.00 0.00 H new ATOM 0 HD1 TYR A 434 69.544 -0.666 6.669 1.00 0.00 H new ATOM 0 HD2 TYR A 434 68.860 -4.236 4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 434 69.342 0.696 4.605 1.00 0.00 H new ATOM 0 HE2 TYR A 434 68.658 -2.876 2.319 1.00 0.00 H new ATOM 0 HH TYR A 434 68.701 -0.838 1.418 1.00 0.00 H new ATOM 436 N SER A 435 70.760 -4.408 9.562 1.00 0.00 N ATOM 437 CA SER A 435 70.932 -5.488 10.576 1.00 0.00 C ATOM 438 C SER A 435 69.645 -6.307 10.703 1.00 0.00 C ATOM 439 O SER A 435 69.674 -7.480 11.018 1.00 0.00 O ATOM 440 CB SER A 435 71.235 -4.758 11.884 1.00 0.00 C ATOM 441 OG SER A 435 71.508 -5.712 12.902 1.00 0.00 O ATOM 0 H SER A 435 70.441 -3.513 9.933 1.00 0.00 H new ATOM 0 HA SER A 435 71.725 -6.185 10.305 1.00 0.00 H new ATOM 0 HB2 SER A 435 72.089 -4.094 11.754 1.00 0.00 H new ATOM 0 HB3 SER A 435 70.388 -4.135 12.171 1.00 0.00 H new ATOM 0 HG SER A 435 71.704 -5.247 13.742 1.00 0.00 H new ATOM 447 N THR A 436 68.516 -5.696 10.458 1.00 0.00 N ATOM 448 CA THR A 436 67.225 -6.437 10.562 1.00 0.00 C ATOM 449 C THR A 436 66.930 -7.193 9.261 1.00 0.00 C ATOM 450 O THR A 436 65.901 -7.827 9.125 1.00 0.00 O ATOM 451 CB THR A 436 66.169 -5.358 10.806 1.00 0.00 C ATOM 452 OG1 THR A 436 66.411 -4.258 9.940 1.00 0.00 O ATOM 453 CG2 THR A 436 66.241 -4.889 12.260 1.00 0.00 C ATOM 0 H THR A 436 68.432 -4.715 10.190 1.00 0.00 H new ATOM 0 HA THR A 436 67.244 -7.181 11.358 1.00 0.00 H new ATOM 0 HB THR A 436 65.178 -5.768 10.608 1.00 0.00 H new ATOM 0 HG1 THR A 436 65.734 -3.566 10.093 1.00 0.00 H new ATOM 0 HG21 THR A 436 65.488 -4.120 12.432 1.00 0.00 H new ATOM 0 HG22 THR A 436 66.056 -5.733 12.924 1.00 0.00 H new ATOM 0 HG23 THR A 436 67.231 -4.479 12.461 1.00 0.00 H new ATOM 461 N GLU A 437 67.820 -7.133 8.304 1.00 0.00 N ATOM 462 CA GLU A 437 67.585 -7.851 7.017 1.00 0.00 C ATOM 463 C GLU A 437 68.676 -8.900 6.790 1.00 0.00 C ATOM 464 O GLU A 437 69.842 -8.581 6.672 1.00 0.00 O ATOM 465 CB GLU A 437 67.653 -6.765 5.941 1.00 0.00 C ATOM 466 CG GLU A 437 66.527 -5.754 6.165 1.00 0.00 C ATOM 467 CD GLU A 437 65.184 -6.400 5.821 1.00 0.00 C ATOM 468 OE1 GLU A 437 64.696 -7.170 6.631 1.00 0.00 O ATOM 469 OE2 GLU A 437 64.667 -6.115 4.754 1.00 0.00 O ATOM 0 H GLU A 437 68.699 -6.618 8.359 1.00 0.00 H new ATOM 0 HA GLU A 437 66.631 -8.378 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 437 68.620 -6.263 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 437 67.563 -7.213 4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 437 66.526 -5.419 7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 437 66.687 -4.872 5.545 1.00 0.00 H new ATOM 476 N LEU A 438 68.304 -10.152 6.732 1.00 0.00 N ATOM 477 CA LEU A 438 69.320 -11.225 6.514 1.00 0.00 C ATOM 478 C LEU A 438 69.964 -11.072 5.134 1.00 0.00 C ATOM 479 O LEU A 438 71.168 -11.153 4.990 1.00 0.00 O ATOM 480 CB LEU A 438 68.536 -12.539 6.600 1.00 0.00 C ATOM 481 CG LEU A 438 68.764 -13.197 7.965 1.00 0.00 C ATOM 482 CD1 LEU A 438 70.252 -13.516 8.142 1.00 0.00 C ATOM 483 CD2 LEU A 438 68.312 -12.246 9.078 1.00 0.00 C ATOM 0 H LEU A 438 67.342 -10.478 6.826 1.00 0.00 H new ATOM 0 HA LEU A 438 70.127 -11.184 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 438 67.473 -12.348 6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 438 68.852 -13.214 5.804 1.00 0.00 H new ATOM 0 HG LEU A 438 68.186 -14.120 8.018 1.00 0.00 H new ATOM 0 HD11 LEU A 438 70.411 -13.984 9.114 1.00 0.00 H new ATOM 0 HD12 LEU A 438 70.574 -14.197 7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 438 70.831 -12.594 8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 438 68.475 -12.717 10.047 1.00 0.00 H new ATOM 0 HD22 LEU A 438 68.887 -11.321 9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 438 67.252 -12.022 8.957 1.00 0.00 H new ATOM 495 N ASN A 439 69.171 -10.855 4.118 1.00 0.00 N ATOM 496 CA ASN A 439 69.740 -10.700 2.746 1.00 0.00 C ATOM 497 C ASN A 439 68.714 -10.039 1.819 1.00 0.00 C ATOM 498 O ASN A 439 68.464 -10.504 0.723 1.00 0.00 O ATOM 499 CB ASN A 439 70.049 -12.127 2.282 1.00 0.00 C ATOM 500 CG ASN A 439 71.518 -12.225 1.864 1.00 0.00 C ATOM 501 OD1 ASN A 439 72.062 -11.302 1.289 1.00 0.00 O ATOM 502 ND2 ASN A 439 72.188 -13.312 2.132 1.00 0.00 N ATOM 0 H ASN A 439 68.156 -10.778 4.178 1.00 0.00 H new ATOM 0 HA ASN A 439 70.628 -10.068 2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 439 69.841 -12.834 3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 439 69.404 -12.396 1.446 1.00 0.00 H new ATOM 0 HD21 ASN A 439 73.168 -13.387 1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 439 71.732 -14.086 2.614 1.00 0.00 H new ATOM 509 N LYS A 440 68.122 -8.957 2.247 1.00 0.00 N ATOM 510 CA LYS A 440 67.114 -8.265 1.389 1.00 0.00 C ATOM 511 C LYS A 440 67.034 -6.778 1.757 1.00 0.00 C ATOM 512 O LYS A 440 67.322 -6.401 2.876 1.00 0.00 O ATOM 513 CB LYS A 440 65.786 -8.968 1.683 1.00 0.00 C ATOM 514 CG LYS A 440 65.468 -8.876 3.178 1.00 0.00 C ATOM 515 CD LYS A 440 64.313 -9.824 3.512 1.00 0.00 C ATOM 516 CE LYS A 440 64.391 -10.224 4.986 1.00 0.00 C ATOM 517 NZ LYS A 440 62.998 -10.593 5.359 1.00 0.00 N ATOM 0 H LYS A 440 68.292 -8.521 3.153 1.00 0.00 H new ATOM 0 HA LYS A 440 67.371 -8.314 0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 440 64.985 -8.509 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 440 65.842 -10.013 1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 440 66.349 -9.137 3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 440 65.201 -7.853 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 440 63.359 -9.339 3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 440 64.362 -10.711 2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 440 65.074 -11.061 5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 440 64.759 -9.402 5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 62.971 -10.879 6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 62.372 -9.775 5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 62.677 -11.383 4.764 1.00 0.00 H new ATOM 531 N PRO A 441 66.647 -5.976 0.796 1.00 0.00 N ATOM 532 CA PRO A 441 66.531 -4.512 1.022 1.00 0.00 C ATOM 533 C PRO A 441 65.375 -4.194 1.974 1.00 0.00 C ATOM 534 O PRO A 441 64.322 -4.798 1.911 1.00 0.00 O ATOM 535 CB PRO A 441 66.257 -3.954 -0.374 1.00 0.00 C ATOM 536 CG PRO A 441 65.658 -5.094 -1.131 1.00 0.00 C ATOM 537 CD PRO A 441 66.280 -6.349 -0.577 1.00 0.00 C ATOM 0 HA PRO A 441 67.421 -4.083 1.483 1.00 0.00 H new ATOM 0 HB2 PRO A 441 65.575 -3.105 -0.333 1.00 0.00 H new ATOM 0 HB3 PRO A 441 67.175 -3.604 -0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 441 64.575 -5.113 -1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 441 65.859 -5.000 -2.198 1.00 0.00 H new ATOM 0 HD2 PRO A 441 65.579 -7.184 -0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 441 67.152 -6.654 -1.156 1.00 0.00 H new ATOM 545 N ALA A 442 65.566 -3.244 2.852 1.00 0.00 N ATOM 546 CA ALA A 442 64.481 -2.876 3.807 1.00 0.00 C ATOM 547 C ALA A 442 63.439 -2.007 3.100 1.00 0.00 C ATOM 548 O ALA A 442 63.510 -0.793 3.122 1.00 0.00 O ATOM 549 CB ALA A 442 65.177 -2.086 4.915 1.00 0.00 C ATOM 0 H ALA A 442 66.428 -2.707 2.948 1.00 0.00 H new ATOM 0 HA ALA A 442 63.959 -3.748 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 442 64.442 -1.779 5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 442 65.933 -2.712 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 442 65.653 -1.203 4.488 1.00 0.00 H new ATOM 555 N MET A 443 62.477 -2.621 2.468 1.00 0.00 N ATOM 556 CA MET A 443 61.429 -1.840 1.747 1.00 0.00 C ATOM 557 C MET A 443 60.711 -0.882 2.704 1.00 0.00 C ATOM 558 O MET A 443 60.804 -1.006 3.909 1.00 0.00 O ATOM 559 CB MET A 443 60.453 -2.890 1.217 1.00 0.00 C ATOM 560 CG MET A 443 59.870 -2.421 -0.117 1.00 0.00 C ATOM 561 SD MET A 443 61.088 -2.679 -1.432 1.00 0.00 S ATOM 562 CE MET A 443 59.925 -2.690 -2.818 1.00 0.00 C ATOM 0 H MET A 443 62.370 -3.634 2.419 1.00 0.00 H new ATOM 0 HA MET A 443 61.853 -1.228 0.951 1.00 0.00 H new ATOM 0 HB2 MET A 443 60.964 -3.844 1.087 1.00 0.00 H new ATOM 0 HB3 MET A 443 59.652 -3.054 1.938 1.00 0.00 H new ATOM 0 HG2 MET A 443 58.956 -2.971 -0.340 1.00 0.00 H new ATOM 0 HG3 MET A 443 59.601 -1.366 -0.058 1.00 0.00 H new ATOM 0 HE1 MET A 443 60.000 -3.640 -3.348 1.00 0.00 H new ATOM 0 HE2 MET A 443 58.910 -2.563 -2.442 1.00 0.00 H new ATOM 0 HE3 MET A 443 60.164 -1.874 -3.500 1.00 0.00 H new ATOM 572 N ILE A 444 59.987 0.064 2.168 1.00 0.00 N ATOM 573 CA ILE A 444 59.244 1.028 3.030 1.00 0.00 C ATOM 574 C ILE A 444 57.844 1.248 2.464 1.00 0.00 C ATOM 575 O ILE A 444 57.529 0.817 1.371 1.00 0.00 O ATOM 576 CB ILE A 444 60.056 2.326 2.996 1.00 0.00 C ATOM 577 CG1 ILE A 444 59.343 3.404 3.819 1.00 0.00 C ATOM 578 CG2 ILE A 444 60.212 2.809 1.552 1.00 0.00 C ATOM 579 CD1 ILE A 444 60.319 4.543 4.122 1.00 0.00 C ATOM 0 H ILE A 444 59.878 0.211 1.165 1.00 0.00 H new ATOM 0 HA ILE A 444 59.127 0.665 4.051 1.00 0.00 H new ATOM 0 HB ILE A 444 61.042 2.137 3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 444 58.482 3.785 3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 444 58.966 2.977 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 444 60.791 3.733 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 444 60.729 2.048 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 444 59.228 2.991 1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 444 59.812 5.310 4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 444 61.166 4.155 4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 444 60.675 4.976 3.187 1.00 0.00 H new ATOM 591 N TYR A 445 57.002 1.905 3.206 1.00 0.00 N ATOM 592 CA TYR A 445 55.607 2.149 2.731 1.00 0.00 C ATOM 593 C TYR A 445 55.411 3.622 2.348 1.00 0.00 C ATOM 594 O TYR A 445 55.747 4.519 3.097 1.00 0.00 O ATOM 595 CB TYR A 445 54.728 1.769 3.930 1.00 0.00 C ATOM 596 CG TYR A 445 53.347 2.367 3.782 1.00 0.00 C ATOM 597 CD1 TYR A 445 52.624 2.178 2.600 1.00 0.00 C ATOM 598 CD2 TYR A 445 52.794 3.112 4.830 1.00 0.00 C ATOM 599 CE1 TYR A 445 51.347 2.734 2.464 1.00 0.00 C ATOM 600 CE2 TYR A 445 51.516 3.667 4.695 1.00 0.00 C ATOM 601 CZ TYR A 445 50.792 3.478 3.512 1.00 0.00 C ATOM 602 OH TYR A 445 49.533 4.026 3.379 1.00 0.00 O ATOM 0 H TYR A 445 57.217 2.287 4.127 1.00 0.00 H new ATOM 0 HA TYR A 445 55.362 1.573 1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 445 54.655 0.684 4.006 1.00 0.00 H new ATOM 0 HB3 TYR A 445 55.188 2.123 4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 445 53.051 1.603 1.792 1.00 0.00 H new ATOM 0 HD2 TYR A 445 53.353 3.259 5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 445 50.790 2.589 1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 445 51.089 4.241 5.504 1.00 0.00 H new ATOM 0 HH TYR A 445 49.299 4.510 4.198 1.00 0.00 H new ATOM 612 N CYS A 446 54.856 3.873 1.189 1.00 0.00 N ATOM 613 CA CYS A 446 54.619 5.285 0.760 1.00 0.00 C ATOM 614 C CYS A 446 53.186 5.697 1.115 1.00 0.00 C ATOM 615 O CYS A 446 52.255 4.932 0.955 1.00 0.00 O ATOM 616 CB CYS A 446 54.819 5.282 -0.759 1.00 0.00 C ATOM 617 SG CYS A 446 54.426 6.920 -1.437 1.00 0.00 S ATOM 0 H CYS A 446 54.557 3.162 0.522 1.00 0.00 H new ATOM 0 HA CYS A 446 55.290 5.989 1.251 1.00 0.00 H new ATOM 0 HB2 CYS A 446 55.849 5.017 -0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 446 54.181 4.526 -1.217 1.00 0.00 H new ATOM 622 N SER A 447 53.002 6.900 1.590 1.00 0.00 N ATOM 623 CA SER A 447 51.632 7.357 1.950 1.00 0.00 C ATOM 624 C SER A 447 50.881 7.810 0.685 1.00 0.00 C ATOM 625 O SER A 447 50.571 7.005 -0.171 1.00 0.00 O ATOM 626 CB SER A 447 51.859 8.517 2.922 1.00 0.00 C ATOM 627 OG SER A 447 52.829 9.403 2.377 1.00 0.00 O ATOM 0 H SER A 447 53.742 7.585 1.744 1.00 0.00 H new ATOM 0 HA SER A 447 51.022 6.574 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 447 50.923 9.047 3.098 1.00 0.00 H new ATOM 0 HB3 SER A 447 52.197 8.138 3.886 1.00 0.00 H new ATOM 0 HG SER A 447 52.623 10.321 2.650 1.00 0.00 H new ATOM 633 N HIS A 448 50.587 9.084 0.552 1.00 0.00 N ATOM 634 CA HIS A 448 49.860 9.568 -0.663 1.00 0.00 C ATOM 635 C HIS A 448 48.616 8.712 -0.924 1.00 0.00 C ATOM 636 O HIS A 448 48.132 8.022 -0.048 1.00 0.00 O ATOM 637 CB HIS A 448 50.862 9.421 -1.811 1.00 0.00 C ATOM 638 CG HIS A 448 50.709 10.572 -2.769 1.00 0.00 C ATOM 639 ND1 HIS A 448 51.493 10.695 -3.906 1.00 0.00 N ATOM 640 CD2 HIS A 448 49.868 11.657 -2.776 1.00 0.00 C ATOM 641 CE1 HIS A 448 51.111 11.816 -4.543 1.00 0.00 C ATOM 642 NE2 HIS A 448 50.123 12.442 -3.897 1.00 0.00 N ATOM 0 H HIS A 448 50.820 9.807 1.233 1.00 0.00 H new ATOM 0 HA HIS A 448 49.515 10.596 -0.549 1.00 0.00 H new ATOM 0 HB2 HIS A 448 51.878 9.395 -1.418 1.00 0.00 H new ATOM 0 HB3 HIS A 448 50.697 8.478 -2.332 1.00 0.00 H new ATOM 0 HD2 HIS A 448 49.121 11.869 -2.025 1.00 0.00 H new ATOM 0 HE1 HIS A 448 51.550 12.168 -5.465 1.00 0.00 H new ATOM 0 HE2 HIS A 448 49.656 13.308 -4.167 1.00 0.00 H new ATOM 650 N GLY A 449 48.100 8.751 -2.123 1.00 0.00 N ATOM 651 CA GLY A 449 46.890 7.939 -2.444 1.00 0.00 C ATOM 652 C GLY A 449 47.315 6.509 -2.778 1.00 0.00 C ATOM 653 O GLY A 449 46.817 5.555 -2.213 1.00 0.00 O ATOM 0 H GLY A 449 48.464 9.310 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 449 46.203 7.938 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 449 46.356 8.378 -3.287 1.00 0.00 H new ATOM 657 N ASP A 450 48.236 6.354 -3.691 1.00 0.00 N ATOM 658 CA ASP A 450 48.701 4.986 -4.064 1.00 0.00 C ATOM 659 C ASP A 450 49.826 4.542 -3.124 1.00 0.00 C ATOM 660 O ASP A 450 50.993 4.734 -3.405 1.00 0.00 O ATOM 661 CB ASP A 450 49.219 5.120 -5.497 1.00 0.00 C ATOM 662 CG ASP A 450 48.062 5.495 -6.425 1.00 0.00 C ATOM 663 OD1 ASP A 450 46.991 4.932 -6.261 1.00 0.00 O ATOM 664 OD2 ASP A 450 48.265 6.337 -7.284 1.00 0.00 O ATOM 0 H ASP A 450 48.687 7.117 -4.196 1.00 0.00 H new ATOM 0 HA ASP A 450 47.908 4.242 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 450 49.998 5.881 -5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 450 49.670 4.182 -5.821 1.00 0.00 H new ATOM 669 N GLY A 451 49.481 3.954 -2.010 1.00 0.00 N ATOM 670 CA GLY A 451 50.526 3.503 -1.047 1.00 0.00 C ATOM 671 C GLY A 451 51.163 2.204 -1.547 1.00 0.00 C ATOM 672 O GLY A 451 50.510 1.187 -1.668 1.00 0.00 O ATOM 0 H GLY A 451 48.520 3.767 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 451 51.289 4.274 -0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 451 50.084 3.347 -0.063 1.00 0.00 H new ATOM 676 N HIS A 452 52.440 2.231 -1.825 1.00 0.00 N ATOM 677 CA HIS A 452 53.127 0.996 -2.304 1.00 0.00 C ATOM 678 C HIS A 452 54.396 0.739 -1.500 1.00 0.00 C ATOM 679 O HIS A 452 54.766 1.503 -0.627 1.00 0.00 O ATOM 680 CB HIS A 452 53.462 1.210 -3.784 1.00 0.00 C ATOM 681 CG HIS A 452 54.291 2.453 -3.978 1.00 0.00 C ATOM 682 ND1 HIS A 452 55.472 2.442 -4.710 1.00 0.00 N ATOM 683 CD2 HIS A 452 54.124 3.752 -3.568 1.00 0.00 C ATOM 684 CE1 HIS A 452 55.957 3.697 -4.715 1.00 0.00 C ATOM 685 NE2 HIS A 452 55.173 4.529 -4.033 1.00 0.00 N ATOM 0 H HIS A 452 53.036 3.054 -1.741 1.00 0.00 H new ATOM 0 HA HIS A 452 52.483 0.126 -2.176 1.00 0.00 H new ATOM 0 HB2 HIS A 452 54.003 0.345 -4.166 1.00 0.00 H new ATOM 0 HB3 HIS A 452 52.541 1.290 -4.361 1.00 0.00 H new ATOM 0 HD1 HIS A 452 55.894 1.631 -5.161 1.00 0.00 H new ATOM 0 HD2 HIS A 452 53.299 4.114 -2.972 1.00 0.00 H new ATOM 0 HE1 HIS A 452 56.870 3.993 -5.211 1.00 0.00 H new ATOM 693 N TRP A 453 55.053 -0.345 -1.792 1.00 0.00 N ATOM 694 CA TRP A 453 56.300 -0.696 -1.060 1.00 0.00 C ATOM 695 C TRP A 453 57.532 -0.396 -1.924 1.00 0.00 C ATOM 696 O TRP A 453 57.572 -0.726 -3.093 1.00 0.00 O ATOM 697 CB TRP A 453 56.178 -2.198 -0.810 1.00 0.00 C ATOM 698 CG TRP A 453 55.556 -2.436 0.528 1.00 0.00 C ATOM 699 CD1 TRP A 453 54.304 -2.909 0.728 1.00 0.00 C ATOM 700 CD2 TRP A 453 56.129 -2.223 1.851 1.00 0.00 C ATOM 701 NE1 TRP A 453 54.073 -3.001 2.087 1.00 0.00 N ATOM 702 CE2 TRP A 453 55.166 -2.590 2.822 1.00 0.00 C ATOM 703 CE3 TRP A 453 57.376 -1.753 2.299 1.00 0.00 C ATOM 704 CZ2 TRP A 453 55.432 -2.494 4.189 1.00 0.00 C ATOM 705 CZ3 TRP A 453 57.646 -1.655 3.674 1.00 0.00 C ATOM 706 CH2 TRP A 453 56.676 -2.024 4.616 1.00 0.00 C ATOM 0 H TRP A 453 54.777 -1.011 -2.514 1.00 0.00 H new ATOM 0 HA TRP A 453 56.419 -0.126 -0.139 1.00 0.00 H new ATOM 0 HB2 TRP A 453 55.572 -2.659 -1.591 1.00 0.00 H new ATOM 0 HB3 TRP A 453 57.162 -2.665 -0.853 1.00 0.00 H new ATOM 0 HD1 TRP A 453 53.600 -3.172 -0.048 1.00 0.00 H new ATOM 0 HE1 TRP A 453 53.200 -3.333 2.497 1.00 0.00 H new ATOM 0 HE3 TRP A 453 58.131 -1.466 1.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 453 54.682 -2.781 4.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 453 58.607 -1.293 4.007 1.00 0.00 H new ATOM 0 HH2 TRP A 453 56.890 -1.945 5.672 1.00 0.00 H new ATOM 717 N VAL A 454 58.538 0.222 -1.358 1.00 0.00 N ATOM 718 CA VAL A 454 59.765 0.535 -2.156 1.00 0.00 C ATOM 719 C VAL A 454 61.016 0.490 -1.262 1.00 0.00 C ATOM 720 O VAL A 454 60.960 0.795 -0.090 1.00 0.00 O ATOM 721 CB VAL A 454 59.537 1.946 -2.711 1.00 0.00 C ATOM 722 CG1 VAL A 454 58.270 1.962 -3.569 1.00 0.00 C ATOM 723 CG2 VAL A 454 59.379 2.938 -1.561 1.00 0.00 C ATOM 0 H VAL A 454 58.564 0.522 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 454 59.930 -0.189 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 454 60.395 2.231 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 454 58.110 2.966 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 454 58.382 1.261 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 454 57.414 1.670 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 454 59.217 3.938 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 454 58.525 2.651 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 454 60.282 2.934 -0.950 1.00 0.00 H new ATOM 733 N HIS A 455 62.143 0.099 -1.810 1.00 0.00 N ATOM 734 CA HIS A 455 63.400 0.020 -0.993 1.00 0.00 C ATOM 735 C HIS A 455 63.618 1.318 -0.207 1.00 0.00 C ATOM 736 O HIS A 455 62.983 2.322 -0.461 1.00 0.00 O ATOM 737 CB HIS A 455 64.541 -0.181 -2.001 1.00 0.00 C ATOM 738 CG HIS A 455 64.259 -1.371 -2.865 1.00 0.00 C ATOM 739 ND1 HIS A 455 64.130 -1.275 -4.255 1.00 0.00 N ATOM 740 CD2 HIS A 455 64.039 -2.682 -2.554 1.00 0.00 C ATOM 741 CE1 HIS A 455 63.830 -2.508 -4.720 1.00 0.00 C ATOM 742 NE2 HIS A 455 63.769 -3.371 -3.719 1.00 0.00 N ATOM 0 H HIS A 455 62.248 -0.169 -2.788 1.00 0.00 H new ATOM 0 HA HIS A 455 63.349 -0.791 -0.267 1.00 0.00 H new ATOM 0 HB2 HIS A 455 64.652 0.710 -2.620 1.00 0.00 H new ATOM 0 HB3 HIS A 455 65.484 -0.321 -1.472 1.00 0.00 H new ATOM 0 HD2 HIS A 455 64.071 -3.109 -1.562 1.00 0.00 H new ATOM 0 HE1 HIS A 455 63.664 -2.753 -5.759 1.00 0.00 H new ATOM 0 HE2 HIS A 455 63.560 -4.366 -3.795 1.00 0.00 H new ATOM 750 N ALA A 456 64.513 1.300 0.745 1.00 0.00 N ATOM 751 CA ALA A 456 64.778 2.527 1.549 1.00 0.00 C ATOM 752 C ALA A 456 66.025 3.245 1.027 1.00 0.00 C ATOM 753 O ALA A 456 65.983 4.409 0.680 1.00 0.00 O ATOM 754 CB ALA A 456 65.007 2.024 2.975 1.00 0.00 C ATOM 0 H ALA A 456 65.073 0.486 1.000 1.00 0.00 H new ATOM 0 HA ALA A 456 63.956 3.241 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 456 65.209 2.870 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 456 64.117 1.500 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 456 65.858 1.343 2.988 1.00 0.00 H new ATOM 760 N GLN A 457 67.136 2.559 0.970 1.00 0.00 N ATOM 761 CA GLN A 457 68.390 3.201 0.473 1.00 0.00 C ATOM 762 C GLN A 457 68.182 3.751 -0.942 1.00 0.00 C ATOM 763 O GLN A 457 68.830 4.696 -1.350 1.00 0.00 O ATOM 764 CB GLN A 457 69.438 2.084 0.472 1.00 0.00 C ATOM 765 CG GLN A 457 70.768 2.625 -0.061 1.00 0.00 C ATOM 766 CD GLN A 457 71.750 1.469 -0.266 1.00 0.00 C ATOM 767 OE1 GLN A 457 71.381 0.315 -0.166 1.00 0.00 O ATOM 768 NE2 GLN A 457 72.997 1.731 -0.550 1.00 0.00 N ATOM 0 H GLN A 457 67.230 1.582 1.246 1.00 0.00 H new ATOM 0 HA GLN A 457 68.696 4.042 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 457 69.571 1.696 1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 457 69.098 1.254 -0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 457 70.607 3.150 -1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 457 71.184 3.349 0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 457 73.308 2.699 -0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 457 73.660 0.968 -0.688 1.00 0.00 H new ATOM 777 N CYS A 458 67.280 3.173 -1.690 1.00 0.00 N ATOM 778 CA CYS A 458 67.027 3.671 -3.076 1.00 0.00 C ATOM 779 C CYS A 458 66.600 5.141 -3.035 1.00 0.00 C ATOM 780 O CYS A 458 66.767 5.872 -3.993 1.00 0.00 O ATOM 781 CB CYS A 458 65.893 2.798 -3.615 1.00 0.00 C ATOM 782 SG CYS A 458 66.579 1.283 -4.328 1.00 0.00 S ATOM 0 H CYS A 458 66.708 2.379 -1.403 1.00 0.00 H new ATOM 0 HA CYS A 458 67.916 3.613 -3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 458 65.197 2.552 -2.813 1.00 0.00 H new ATOM 0 HB3 CYS A 458 65.328 3.344 -4.370 1.00 0.00 H new ATOM 787 N MET A 459 66.051 5.578 -1.933 1.00 0.00 N ATOM 788 CA MET A 459 65.613 7.000 -1.824 1.00 0.00 C ATOM 789 C MET A 459 66.621 7.801 -0.990 1.00 0.00 C ATOM 790 O MET A 459 67.454 8.507 -1.522 1.00 0.00 O ATOM 791 CB MET A 459 64.255 6.943 -1.120 1.00 0.00 C ATOM 792 CG MET A 459 63.145 6.748 -2.157 1.00 0.00 C ATOM 793 SD MET A 459 62.219 5.237 -1.787 1.00 0.00 S ATOM 794 CE MET A 459 62.055 4.658 -3.492 1.00 0.00 C ATOM 0 H MET A 459 65.887 5.010 -1.102 1.00 0.00 H new ATOM 0 HA MET A 459 65.547 7.489 -2.796 1.00 0.00 H new ATOM 0 HB2 MET A 459 64.242 6.125 -0.400 1.00 0.00 H new ATOM 0 HB3 MET A 459 64.086 7.863 -0.560 1.00 0.00 H new ATOM 0 HG2 MET A 459 62.474 7.607 -2.151 1.00 0.00 H new ATOM 0 HG3 MET A 459 63.575 6.686 -3.157 1.00 0.00 H new ATOM 0 HE1 MET A 459 61.699 3.628 -3.494 1.00 0.00 H new ATOM 0 HE2 MET A 459 61.343 5.289 -4.024 1.00 0.00 H new ATOM 0 HE3 MET A 459 63.024 4.707 -3.988 1.00 0.00 H new ATOM 804 N ASP A 460 66.552 7.689 0.314 1.00 0.00 N ATOM 805 CA ASP A 460 67.498 8.431 1.192 1.00 0.00 C ATOM 806 C ASP A 460 67.205 8.114 2.662 1.00 0.00 C ATOM 807 O ASP A 460 66.761 8.960 3.413 1.00 0.00 O ATOM 808 CB ASP A 460 67.255 9.918 0.908 1.00 0.00 C ATOM 809 CG ASP A 460 65.776 10.249 1.119 1.00 0.00 C ATOM 810 OD1 ASP A 460 64.999 10.005 0.211 1.00 0.00 O ATOM 811 OD2 ASP A 460 65.445 10.740 2.186 1.00 0.00 O ATOM 0 H ASP A 460 65.874 7.109 0.808 1.00 0.00 H new ATOM 0 HA ASP A 460 68.534 8.153 0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 460 67.872 10.529 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 460 67.548 10.155 -0.115 1.00 0.00 H new ATOM 816 N LEU A 461 67.451 6.899 3.078 1.00 0.00 N ATOM 817 CA LEU A 461 67.185 6.527 4.499 1.00 0.00 C ATOM 818 C LEU A 461 68.404 5.826 5.103 1.00 0.00 C ATOM 819 O LEU A 461 69.278 5.362 4.398 1.00 0.00 O ATOM 820 CB LEU A 461 65.994 5.571 4.444 1.00 0.00 C ATOM 821 CG LEU A 461 64.709 6.369 4.214 1.00 0.00 C ATOM 822 CD1 LEU A 461 64.406 6.426 2.716 1.00 0.00 C ATOM 823 CD2 LEU A 461 63.549 5.687 4.943 1.00 0.00 C ATOM 0 H LEU A 461 67.824 6.149 2.496 1.00 0.00 H new ATOM 0 HA LEU A 461 66.981 7.400 5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 461 66.133 4.846 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 461 65.923 5.008 5.374 1.00 0.00 H new ATOM 0 HG LEU A 461 64.836 7.381 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 461 63.491 6.994 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 461 65.232 6.910 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 461 64.279 5.414 2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 461 62.633 6.255 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 461 63.422 4.675 4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 461 63.765 5.645 6.011 1.00 0.00 H new ATOM 835 N GLU A 462 68.462 5.743 6.405 1.00 0.00 N ATOM 836 CA GLU A 462 69.619 5.069 7.062 1.00 0.00 C ATOM 837 C GLU A 462 69.133 3.851 7.853 1.00 0.00 C ATOM 838 O GLU A 462 67.949 3.663 8.050 1.00 0.00 O ATOM 839 CB GLU A 462 70.213 6.123 8.003 1.00 0.00 C ATOM 840 CG GLU A 462 71.677 6.374 7.635 1.00 0.00 C ATOM 841 CD GLU A 462 71.760 7.505 6.610 1.00 0.00 C ATOM 842 OE1 GLU A 462 71.659 8.652 7.012 1.00 0.00 O ATOM 843 OE2 GLU A 462 71.924 7.205 5.438 1.00 0.00 O ATOM 0 H GLU A 462 67.757 6.113 7.043 1.00 0.00 H new ATOM 0 HA GLU A 462 70.355 4.710 6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 462 69.645 7.051 7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 462 70.140 5.784 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 462 72.247 6.635 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 462 72.121 5.466 7.227 1.00 0.00 H new ATOM 850 N GLU A 463 70.037 3.024 8.305 1.00 0.00 N ATOM 851 CA GLU A 463 69.625 1.816 9.083 1.00 0.00 C ATOM 852 C GLU A 463 68.820 2.228 10.320 1.00 0.00 C ATOM 853 O GLU A 463 68.020 1.469 10.832 1.00 0.00 O ATOM 854 CB GLU A 463 70.935 1.141 9.495 1.00 0.00 C ATOM 855 CG GLU A 463 70.786 -0.377 9.380 1.00 0.00 C ATOM 856 CD GLU A 463 72.020 -1.057 9.976 1.00 0.00 C ATOM 857 OE1 GLU A 463 73.020 -1.141 9.282 1.00 0.00 O ATOM 858 OE2 GLU A 463 71.945 -1.483 11.117 1.00 0.00 O ATOM 0 H GLU A 463 71.042 3.131 8.170 1.00 0.00 H new ATOM 0 HA GLU A 463 68.989 1.149 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 463 71.750 1.486 8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 463 71.191 1.415 10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 463 69.888 -0.706 9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 463 70.669 -0.664 8.335 1.00 0.00 H new ATOM 865 N ARG A 464 69.025 3.424 10.803 1.00 0.00 N ATOM 866 CA ARG A 464 68.273 3.886 12.006 1.00 0.00 C ATOM 867 C ARG A 464 66.924 4.479 11.591 1.00 0.00 C ATOM 868 O ARG A 464 65.880 4.002 11.990 1.00 0.00 O ATOM 869 CB ARG A 464 69.160 4.960 12.644 1.00 0.00 C ATOM 870 CG ARG A 464 69.605 4.504 14.037 1.00 0.00 C ATOM 871 CD ARG A 464 71.056 4.023 13.979 1.00 0.00 C ATOM 872 NE ARG A 464 71.558 4.146 15.376 1.00 0.00 N ATOM 873 CZ ARG A 464 71.431 3.146 16.205 1.00 0.00 C ATOM 874 NH1 ARG A 464 72.305 2.178 16.200 1.00 0.00 N ATOM 875 NH2 ARG A 464 70.429 3.117 17.041 1.00 0.00 N ATOM 0 H ARG A 464 69.682 4.102 10.416 1.00 0.00 H new ATOM 0 HA ARG A 464 68.062 3.071 12.698 1.00 0.00 H new ATOM 0 HB2 ARG A 464 70.032 5.145 12.016 1.00 0.00 H new ATOM 0 HB3 ARG A 464 68.614 5.900 12.716 1.00 0.00 H new ATOM 0 HG2 ARG A 464 69.512 5.326 14.747 1.00 0.00 H new ATOM 0 HG3 ARG A 464 68.959 3.701 14.392 1.00 0.00 H new ATOM 0 HD2 ARG A 464 71.117 2.993 13.627 1.00 0.00 H new ATOM 0 HD3 ARG A 464 71.646 4.630 13.292 1.00 0.00 H new ATOM 0 HE ARG A 464 72.001 5.011 15.685 1.00 0.00 H new ATOM 0 HH11 ARG A 464 73.089 2.202 15.548 1.00 0.00 H new ATOM 0 HH12 ARG A 464 72.205 1.397 16.848 1.00 0.00 H new ATOM 0 HH21 ARG A 464 69.747 3.875 17.046 1.00 0.00 H new ATOM 0 HH22 ARG A 464 70.328 2.336 17.690 1.00 0.00 H new ATOM 889 N THR A 465 66.941 5.517 10.793 1.00 0.00 N ATOM 890 CA THR A 465 65.660 6.149 10.349 1.00 0.00 C ATOM 891 C THR A 465 64.678 5.080 9.861 1.00 0.00 C ATOM 892 O THR A 465 63.482 5.205 10.031 1.00 0.00 O ATOM 893 CB THR A 465 66.052 7.083 9.202 1.00 0.00 C ATOM 894 OG1 THR A 465 67.169 7.868 9.594 1.00 0.00 O ATOM 895 CG2 THR A 465 64.876 7.999 8.862 1.00 0.00 C ATOM 0 H THR A 465 67.787 5.955 10.429 1.00 0.00 H new ATOM 0 HA THR A 465 65.165 6.685 11.159 1.00 0.00 H new ATOM 0 HB THR A 465 66.313 6.491 8.324 1.00 0.00 H new ATOM 0 HG1 THR A 465 67.423 8.466 8.860 1.00 0.00 H new ATOM 0 HG21 THR A 465 65.157 8.664 8.045 1.00 0.00 H new ATOM 0 HG22 THR A 465 64.020 7.395 8.561 1.00 0.00 H new ATOM 0 HG23 THR A 465 64.612 8.592 9.738 1.00 0.00 H new ATOM 903 N LEU A 466 65.173 4.022 9.273 1.00 0.00 N ATOM 904 CA LEU A 466 64.259 2.942 8.800 1.00 0.00 C ATOM 905 C LEU A 466 63.602 2.285 10.012 1.00 0.00 C ATOM 906 O LEU A 466 62.417 2.012 10.020 1.00 0.00 O ATOM 907 CB LEU A 466 65.155 1.945 8.057 1.00 0.00 C ATOM 908 CG LEU A 466 64.645 1.765 6.626 1.00 0.00 C ATOM 909 CD1 LEU A 466 65.667 0.964 5.816 1.00 0.00 C ATOM 910 CD2 LEU A 466 63.313 1.011 6.651 1.00 0.00 C ATOM 0 H LEU A 466 66.165 3.860 9.101 1.00 0.00 H new ATOM 0 HA LEU A 466 63.464 3.312 8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 466 66.184 2.304 8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 466 65.158 0.987 8.576 1.00 0.00 H new ATOM 0 HG LEU A 466 64.502 2.743 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 466 65.303 0.836 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 466 66.617 1.499 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 466 65.810 -0.014 6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 466 62.949 0.882 5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 466 63.457 0.033 7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 466 62.584 1.580 7.228 1.00 0.00 H new ATOM 922 N ILE A 467 64.363 2.055 11.050 1.00 0.00 N ATOM 923 CA ILE A 467 63.783 1.447 12.281 1.00 0.00 C ATOM 924 C ILE A 467 62.833 2.464 12.908 1.00 0.00 C ATOM 925 O ILE A 467 61.725 2.154 13.299 1.00 0.00 O ATOM 926 CB ILE A 467 64.995 1.153 13.185 1.00 0.00 C ATOM 927 CG1 ILE A 467 64.869 -0.261 13.757 1.00 0.00 C ATOM 928 CG2 ILE A 467 65.084 2.162 14.341 1.00 0.00 C ATOM 929 CD1 ILE A 467 66.245 -0.755 14.209 1.00 0.00 C ATOM 0 H ILE A 467 65.361 2.262 11.097 1.00 0.00 H new ATOM 0 HA ILE A 467 63.212 0.536 12.104 1.00 0.00 H new ATOM 0 HB ILE A 467 65.900 1.238 12.584 1.00 0.00 H new ATOM 0 HG12 ILE A 467 64.176 -0.264 14.598 1.00 0.00 H new ATOM 0 HG13 ILE A 467 64.459 -0.934 13.004 1.00 0.00 H new ATOM 0 HG21 ILE A 467 65.949 1.929 14.962 1.00 0.00 H new ATOM 0 HG22 ILE A 467 65.188 3.169 13.938 1.00 0.00 H new ATOM 0 HG23 ILE A 467 64.178 2.104 14.945 1.00 0.00 H new ATOM 0 HD11 ILE A 467 66.154 -1.762 14.616 1.00 0.00 H new ATOM 0 HD12 ILE A 467 66.925 -0.768 13.357 1.00 0.00 H new ATOM 0 HD13 ILE A 467 66.637 -0.087 14.976 1.00 0.00 H new ATOM 941 N HIS A 468 63.273 3.688 12.980 1.00 0.00 N ATOM 942 CA HIS A 468 62.426 4.771 13.553 1.00 0.00 C ATOM 943 C HIS A 468 61.115 4.840 12.768 1.00 0.00 C ATOM 944 O HIS A 468 60.038 4.912 13.323 1.00 0.00 O ATOM 945 CB HIS A 468 63.271 6.043 13.359 1.00 0.00 C ATOM 946 CG HIS A 468 62.415 7.187 12.890 1.00 0.00 C ATOM 947 ND1 HIS A 468 61.909 7.492 11.658 1.00 0.00 N flip ATOM 948 CD2 HIS A 468 61.988 8.197 13.739 1.00 0.00 C flip ATOM 949 CE1 HIS A 468 61.176 8.673 11.728 1.00 0.00 C flip ATOM 950 NE2 HIS A 468 61.256 9.056 13.006 1.00 0.00 N flip ATOM 0 H HIS A 468 64.195 3.988 12.662 1.00 0.00 H new ATOM 0 HA HIS A 468 62.160 4.623 14.600 1.00 0.00 H new ATOM 0 HB2 HIS A 468 63.758 6.308 14.298 1.00 0.00 H new ATOM 0 HB3 HIS A 468 64.061 5.853 12.633 1.00 0.00 H new ATOM 0 HD2 HIS A 468 62.203 8.279 14.794 1.00 0.00 H new ATOM 0 HE1 HIS A 468 60.655 9.172 10.924 1.00 0.00 H new ATOM 0 HE2 HIS A 468 60.816 9.897 13.380 1.00 0.00 H new ATOM 958 N LEU A 469 61.220 4.817 11.473 1.00 0.00 N ATOM 959 CA LEU A 469 60.007 4.878 10.605 1.00 0.00 C ATOM 960 C LEU A 469 59.048 3.725 10.934 1.00 0.00 C ATOM 961 O LEU A 469 57.876 3.777 10.615 1.00 0.00 O ATOM 962 CB LEU A 469 60.543 4.741 9.175 1.00 0.00 C ATOM 963 CG LEU A 469 60.425 6.083 8.452 1.00 0.00 C ATOM 964 CD1 LEU A 469 61.455 6.149 7.321 1.00 0.00 C ATOM 965 CD2 LEU A 469 59.016 6.227 7.869 1.00 0.00 C ATOM 0 H LEU A 469 62.104 4.758 10.968 1.00 0.00 H new ATOM 0 HA LEU A 469 59.444 5.800 10.748 1.00 0.00 H new ATOM 0 HB2 LEU A 469 61.584 4.418 9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 469 59.982 3.976 8.637 1.00 0.00 H new ATOM 0 HG LEU A 469 60.611 6.892 9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 469 61.370 7.106 6.807 1.00 0.00 H new ATOM 0 HD12 LEU A 469 62.458 6.048 7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 469 61.272 5.340 6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 469 58.932 7.184 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 469 58.830 5.417 7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 469 58.283 6.183 8.674 1.00 0.00 H new ATOM 977 N SER A 470 59.535 2.688 11.563 1.00 0.00 N ATOM 978 CA SER A 470 58.647 1.536 11.902 1.00 0.00 C ATOM 979 C SER A 470 58.088 1.676 13.323 1.00 0.00 C ATOM 980 O SER A 470 57.145 1.002 13.691 1.00 0.00 O ATOM 981 CB SER A 470 59.546 0.305 11.803 1.00 0.00 C ATOM 982 OG SER A 470 58.805 -0.774 11.247 1.00 0.00 O ATOM 0 H SER A 470 60.507 2.588 11.856 1.00 0.00 H new ATOM 0 HA SER A 470 57.787 1.476 11.235 1.00 0.00 H new ATOM 0 HB2 SER A 470 60.414 0.524 11.181 1.00 0.00 H new ATOM 0 HB3 SER A 470 59.921 0.034 12.790 1.00 0.00 H new ATOM 0 HG SER A 470 59.379 -1.565 11.180 1.00 0.00 H new ATOM 988 N GLU A 471 58.659 2.536 14.127 1.00 0.00 N ATOM 989 CA GLU A 471 58.151 2.698 15.523 1.00 0.00 C ATOM 990 C GLU A 471 57.641 4.125 15.754 1.00 0.00 C ATOM 991 O GLU A 471 56.781 4.357 16.581 1.00 0.00 O ATOM 992 CB GLU A 471 59.358 2.411 16.416 1.00 0.00 C ATOM 993 CG GLU A 471 59.375 0.928 16.789 1.00 0.00 C ATOM 994 CD GLU A 471 60.479 0.672 17.816 1.00 0.00 C ATOM 995 OE1 GLU A 471 60.319 1.099 18.948 1.00 0.00 O ATOM 996 OE2 GLU A 471 61.467 0.053 17.454 1.00 0.00 O ATOM 0 H GLU A 471 59.450 3.130 13.880 1.00 0.00 H new ATOM 0 HA GLU A 471 57.314 2.031 15.732 1.00 0.00 H new ATOM 0 HB2 GLU A 471 60.279 2.677 15.897 1.00 0.00 H new ATOM 0 HB3 GLU A 471 59.311 3.023 17.317 1.00 0.00 H new ATOM 0 HG2 GLU A 471 58.408 0.634 17.198 1.00 0.00 H new ATOM 0 HG3 GLU A 471 59.543 0.320 15.900 1.00 0.00 H new ATOM 1003 N GLY A 472 58.163 5.081 15.033 1.00 0.00 N ATOM 1004 CA GLY A 472 57.707 6.489 15.217 1.00 0.00 C ATOM 1005 C GLY A 472 56.731 6.863 14.101 1.00 0.00 C ATOM 1006 O GLY A 472 56.107 6.011 13.498 1.00 0.00 O ATOM 0 H GLY A 472 58.885 4.948 14.325 1.00 0.00 H new ATOM 0 HA2 GLY A 472 57.225 6.602 16.188 1.00 0.00 H new ATOM 0 HA3 GLY A 472 58.563 7.163 15.206 1.00 0.00 H new ATOM 1010 N SER A 473 56.594 8.133 13.821 1.00 0.00 N ATOM 1011 CA SER A 473 55.657 8.566 12.742 1.00 0.00 C ATOM 1012 C SER A 473 56.055 7.925 11.410 1.00 0.00 C ATOM 1013 O SER A 473 57.199 7.973 11.004 1.00 0.00 O ATOM 1014 CB SER A 473 55.808 10.085 12.670 1.00 0.00 C ATOM 1015 OG SER A 473 57.152 10.409 12.340 1.00 0.00 O ATOM 0 H SER A 473 57.090 8.889 14.293 1.00 0.00 H new ATOM 0 HA SER A 473 54.628 8.268 12.945 1.00 0.00 H new ATOM 0 HB2 SER A 473 55.129 10.494 11.922 1.00 0.00 H new ATOM 0 HB3 SER A 473 55.538 10.534 13.626 1.00 0.00 H new ATOM 0 HG SER A 473 57.531 9.701 11.778 1.00 0.00 H new ATOM 1021 N ASN A 474 55.117 7.322 10.728 1.00 0.00 N ATOM 1022 CA ASN A 474 55.440 6.675 9.423 1.00 0.00 C ATOM 1023 C ASN A 474 54.973 7.558 8.261 1.00 0.00 C ATOM 1024 O ASN A 474 54.634 7.073 7.199 1.00 0.00 O ATOM 1025 CB ASN A 474 54.678 5.347 9.437 1.00 0.00 C ATOM 1026 CG ASN A 474 53.174 5.609 9.560 1.00 0.00 C ATOM 1027 OD1 ASN A 474 52.746 6.744 9.645 1.00 0.00 O ATOM 1028 ND2 ASN A 474 52.348 4.599 9.575 1.00 0.00 N ATOM 0 H ASN A 474 54.142 7.250 11.018 1.00 0.00 H new ATOM 0 HA ASN A 474 56.512 6.525 9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 474 54.885 4.789 8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 474 55.018 4.732 10.270 1.00 0.00 H new ATOM 0 HD21 ASN A 474 51.345 4.762 9.658 1.00 0.00 H new ATOM 0 HD22 ASN A 474 52.706 3.646 9.504 1.00 0.00 H new ATOM 1035 N LYS A 475 54.954 8.851 8.455 1.00 0.00 N ATOM 1036 CA LYS A 475 54.512 9.765 7.360 1.00 0.00 C ATOM 1037 C LYS A 475 55.659 9.991 6.369 1.00 0.00 C ATOM 1038 O LYS A 475 56.095 11.105 6.151 1.00 0.00 O ATOM 1039 CB LYS A 475 54.141 11.072 8.063 1.00 0.00 C ATOM 1040 CG LYS A 475 52.656 11.051 8.428 1.00 0.00 C ATOM 1041 CD LYS A 475 51.813 11.117 7.153 1.00 0.00 C ATOM 1042 CE LYS A 475 50.466 11.773 7.465 1.00 0.00 C ATOM 1043 NZ LYS A 475 50.167 12.623 6.279 1.00 0.00 N ATOM 0 H LYS A 475 55.225 9.313 9.323 1.00 0.00 H new ATOM 0 HA LYS A 475 53.676 9.359 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 475 54.745 11.198 8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 475 54.355 11.920 7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 475 52.421 10.144 8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 475 52.419 11.894 9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 475 52.338 11.687 6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 475 51.658 10.114 6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 475 49.689 11.024 7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 475 50.519 12.370 8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 49.257 13.106 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 50.920 13.331 6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 50.115 12.027 5.429 1.00 0.00 H new ATOM 1057 N TYR A 476 56.148 8.939 5.769 1.00 0.00 N ATOM 1058 CA TYR A 476 57.266 9.084 4.793 1.00 0.00 C ATOM 1059 C TYR A 476 56.748 8.940 3.360 1.00 0.00 C ATOM 1060 O TYR A 476 55.828 8.193 3.093 1.00 0.00 O ATOM 1061 CB TYR A 476 58.237 7.951 5.131 1.00 0.00 C ATOM 1062 CG TYR A 476 59.486 8.114 4.307 1.00 0.00 C ATOM 1063 CD1 TYR A 476 59.455 7.826 2.941 1.00 0.00 C ATOM 1064 CD2 TYR A 476 60.671 8.562 4.902 1.00 0.00 C ATOM 1065 CE1 TYR A 476 60.605 7.986 2.166 1.00 0.00 C ATOM 1066 CE2 TYR A 476 61.826 8.721 4.127 1.00 0.00 C ATOM 1067 CZ TYR A 476 61.792 8.433 2.757 1.00 0.00 C ATOM 1068 OH TYR A 476 62.928 8.593 1.990 1.00 0.00 O ATOM 0 H TYR A 476 55.821 7.984 5.913 1.00 0.00 H new ATOM 0 HA TYR A 476 57.742 10.062 4.857 1.00 0.00 H new ATOM 0 HB2 TYR A 476 58.482 7.969 6.193 1.00 0.00 H new ATOM 0 HB3 TYR A 476 57.775 6.985 4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 476 58.540 7.479 2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 476 60.694 8.785 5.958 1.00 0.00 H new ATOM 0 HE1 TYR A 476 60.579 7.765 1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 476 62.742 9.065 4.585 1.00 0.00 H new ATOM 0 HH TYR A 476 62.908 7.962 1.240 1.00 0.00 H new ATOM 1078 N TYR A 477 57.340 9.653 2.438 1.00 0.00 N ATOM 1079 CA TYR A 477 56.893 9.563 1.017 1.00 0.00 C ATOM 1080 C TYR A 477 58.025 9.015 0.146 1.00 0.00 C ATOM 1081 O TYR A 477 59.174 9.376 0.306 1.00 0.00 O ATOM 1082 CB TYR A 477 56.557 10.999 0.616 1.00 0.00 C ATOM 1083 CG TYR A 477 55.403 11.502 1.450 1.00 0.00 C ATOM 1084 CD1 TYR A 477 55.617 11.889 2.778 1.00 0.00 C ATOM 1085 CD2 TYR A 477 54.121 11.582 0.894 1.00 0.00 C ATOM 1086 CE1 TYR A 477 54.547 12.357 3.551 1.00 0.00 C ATOM 1087 CE2 TYR A 477 53.051 12.050 1.668 1.00 0.00 C ATOM 1088 CZ TYR A 477 53.265 12.437 2.996 1.00 0.00 C ATOM 1089 OH TYR A 477 52.210 12.899 3.758 1.00 0.00 O ATOM 0 H TYR A 477 58.115 10.294 2.608 1.00 0.00 H new ATOM 0 HA TYR A 477 56.040 8.896 0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 477 57.427 11.640 0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 477 56.299 11.041 -0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 477 56.607 11.827 3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 477 53.957 11.283 -0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 477 54.711 12.656 4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 477 52.061 12.112 1.240 1.00 0.00 H new ATOM 0 HH TYR A 477 51.391 12.892 3.221 1.00 0.00 H new ATOM 1099 N CYS A 478 57.708 8.146 -0.776 1.00 0.00 N ATOM 1100 CA CYS A 478 58.764 7.571 -1.662 1.00 0.00 C ATOM 1101 C CYS A 478 59.463 8.692 -2.446 1.00 0.00 C ATOM 1102 O CYS A 478 59.348 9.856 -2.114 1.00 0.00 O ATOM 1103 CB CYS A 478 58.015 6.601 -2.592 1.00 0.00 C ATOM 1104 SG CYS A 478 57.352 7.480 -4.031 1.00 0.00 S ATOM 0 H CYS A 478 56.762 7.808 -0.955 1.00 0.00 H new ATOM 0 HA CYS A 478 59.549 7.057 -1.108 1.00 0.00 H new ATOM 0 HB2 CYS A 478 58.690 5.811 -2.921 1.00 0.00 H new ATOM 0 HB3 CYS A 478 57.203 6.120 -2.047 1.00 0.00 H new ATOM 1109 N ASN A 479 60.187 8.351 -3.479 1.00 0.00 N ATOM 1110 CA ASN A 479 60.894 9.397 -4.277 1.00 0.00 C ATOM 1111 C ASN A 479 60.002 9.908 -5.414 1.00 0.00 C ATOM 1112 O ASN A 479 60.014 11.077 -5.745 1.00 0.00 O ATOM 1113 CB ASN A 479 62.127 8.694 -4.843 1.00 0.00 C ATOM 1114 CG ASN A 479 63.317 9.655 -4.826 1.00 0.00 C ATOM 1115 OD1 ASN A 479 63.155 10.845 -5.006 1.00 0.00 O ATOM 1116 ND2 ASN A 479 64.516 9.186 -4.616 1.00 0.00 N ATOM 0 H ASN A 479 60.320 7.394 -3.805 1.00 0.00 H new ATOM 0 HA ASN A 479 61.155 10.265 -3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 479 62.355 7.806 -4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 479 61.932 8.359 -5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 479 65.316 9.819 -4.603 1.00 0.00 H new ATOM 0 HD22 ASN A 479 64.653 8.187 -4.465 1.00 0.00 H new ATOM 1123 N GLU A 480 59.239 9.038 -6.021 1.00 0.00 N ATOM 1124 CA GLU A 480 58.355 9.470 -7.147 1.00 0.00 C ATOM 1125 C GLU A 480 57.095 10.178 -6.627 1.00 0.00 C ATOM 1126 O GLU A 480 56.244 10.576 -7.398 1.00 0.00 O ATOM 1127 CB GLU A 480 57.981 8.177 -7.870 1.00 0.00 C ATOM 1128 CG GLU A 480 57.714 8.475 -9.346 1.00 0.00 C ATOM 1129 CD GLU A 480 57.054 7.261 -10.003 1.00 0.00 C ATOM 1130 OE1 GLU A 480 57.659 6.202 -9.987 1.00 0.00 O ATOM 1131 OE2 GLU A 480 55.955 7.412 -10.510 1.00 0.00 O ATOM 0 H GLU A 480 59.189 8.047 -5.787 1.00 0.00 H new ATOM 0 HA GLU A 480 58.856 10.183 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 480 58.787 7.449 -7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 480 57.096 7.735 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 480 57.068 9.348 -9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 480 58.648 8.713 -9.854 1.00 0.00 H new ATOM 1138 N HIS A 481 56.963 10.343 -5.336 1.00 0.00 N ATOM 1139 CA HIS A 481 55.752 11.029 -4.794 1.00 0.00 C ATOM 1140 C HIS A 481 56.153 12.085 -3.760 1.00 0.00 C ATOM 1141 O HIS A 481 55.389 12.421 -2.877 1.00 0.00 O ATOM 1142 CB HIS A 481 54.925 9.924 -4.136 1.00 0.00 C ATOM 1143 CG HIS A 481 54.358 9.020 -5.196 1.00 0.00 C ATOM 1144 ND1 HIS A 481 54.407 7.625 -5.091 1.00 0.00 N ATOM 1145 CD2 HIS A 481 53.730 9.286 -6.393 1.00 0.00 C ATOM 1146 CE1 HIS A 481 53.827 7.112 -6.194 1.00 0.00 C ATOM 1147 NE2 HIS A 481 53.410 8.083 -6.991 1.00 0.00 N ATOM 0 H HIS A 481 57.638 10.034 -4.636 1.00 0.00 H new ATOM 0 HA HIS A 481 55.193 11.546 -5.574 1.00 0.00 H new ATOM 0 HB2 HIS A 481 55.547 9.350 -3.449 1.00 0.00 H new ATOM 0 HB3 HIS A 481 54.119 10.361 -3.547 1.00 0.00 H new ATOM 0 HD2 HIS A 481 53.523 10.267 -6.795 1.00 0.00 H new ATOM 0 HE1 HIS A 481 53.718 6.057 -6.399 1.00 0.00 H new ATOM 0 HE2 HIS A 481 52.937 7.964 -7.887 1.00 0.00 H new ATOM 1155 N VAL A 482 57.344 12.612 -3.864 1.00 0.00 N ATOM 1156 CA VAL A 482 57.792 13.647 -2.887 1.00 0.00 C ATOM 1157 C VAL A 482 57.225 15.013 -3.268 1.00 0.00 C ATOM 1158 O VAL A 482 56.975 15.855 -2.429 1.00 0.00 O ATOM 1159 CB VAL A 482 59.321 13.645 -2.975 1.00 0.00 C ATOM 1160 CG1 VAL A 482 59.770 14.171 -4.342 1.00 0.00 C ATOM 1161 CG2 VAL A 482 59.895 14.539 -1.874 1.00 0.00 C ATOM 0 H VAL A 482 58.026 12.371 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 482 57.448 13.437 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 482 59.683 12.625 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 482 60.859 14.166 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 482 59.366 13.533 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 482 59.405 15.189 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 482 60.983 14.539 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 482 59.525 15.556 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 482 59.586 14.160 -0.900 1.00 0.00 H new ATOM 1171 N GLN A 483 57.023 15.229 -4.533 1.00 0.00 N ATOM 1172 CA GLN A 483 56.470 16.534 -4.998 1.00 0.00 C ATOM 1173 C GLN A 483 55.644 16.335 -6.272 1.00 0.00 C ATOM 1174 O GLN A 483 55.979 16.841 -7.326 1.00 0.00 O ATOM 1175 CB GLN A 483 57.697 17.403 -5.282 1.00 0.00 C ATOM 1176 CG GLN A 483 57.250 18.825 -5.638 1.00 0.00 C ATOM 1177 CD GLN A 483 57.721 19.798 -4.557 1.00 0.00 C ATOM 1178 OE1 GLN A 483 56.925 20.312 -3.795 1.00 0.00 O ATOM 1179 NE2 GLN A 483 58.992 20.076 -4.456 1.00 0.00 N ATOM 0 H GLN A 483 57.217 14.555 -5.274 1.00 0.00 H new ATOM 0 HA GLN A 483 55.809 16.990 -4.261 1.00 0.00 H new ATOM 0 HB2 GLN A 483 58.350 17.424 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 483 58.275 16.977 -6.102 1.00 0.00 H new ATOM 0 HG2 GLN A 483 57.661 19.114 -6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 483 56.164 18.864 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 483 59.661 19.645 -5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 483 59.317 20.724 -3.738 1.00 0.00 H new ATOM 1188 N ILE A 484 54.568 15.600 -6.184 1.00 0.00 N ATOM 1189 CA ILE A 484 53.719 15.366 -7.390 1.00 0.00 C ATOM 1190 C ILE A 484 53.161 16.696 -7.908 1.00 0.00 C ATOM 1191 O ILE A 484 52.492 17.418 -7.195 1.00 0.00 O ATOM 1192 CB ILE A 484 52.588 14.451 -6.910 1.00 0.00 C ATOM 1193 CG1 ILE A 484 51.664 14.119 -8.085 1.00 0.00 C ATOM 1194 CG2 ILE A 484 51.785 15.152 -5.811 1.00 0.00 C ATOM 1195 CD1 ILE A 484 52.127 12.821 -8.749 1.00 0.00 C ATOM 0 H ILE A 484 54.239 15.151 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 484 54.279 14.918 -8.211 1.00 0.00 H new ATOM 0 HB ILE A 484 53.016 13.531 -6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 484 50.637 14.014 -7.735 1.00 0.00 H new ATOM 0 HG13 ILE A 484 51.673 14.933 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 484 50.982 14.497 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 484 52.441 15.384 -4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 484 51.359 16.075 -6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 484 51.469 12.585 -9.585 1.00 0.00 H new ATOM 0 HD12 ILE A 484 53.147 12.942 -9.113 1.00 0.00 H new ATOM 0 HD13 ILE A 484 52.095 12.009 -8.022 1.00 0.00 H new ATOM 1207 N ALA A 485 53.432 17.023 -9.143 1.00 0.00 N ATOM 1208 CA ALA A 485 52.918 18.305 -9.708 1.00 0.00 C ATOM 1209 C ALA A 485 52.780 18.196 -11.228 1.00 0.00 C ATOM 1210 O ALA A 485 52.984 19.154 -11.950 1.00 0.00 O ATOM 1211 CB ALA A 485 53.971 19.350 -9.338 1.00 0.00 C ATOM 0 H ALA A 485 53.987 16.458 -9.786 1.00 0.00 H new ATOM 0 HA ALA A 485 51.933 18.563 -9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 485 53.666 20.325 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 485 54.070 19.399 -8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 485 54.929 19.072 -9.777 1.00 0.00 H new ATOM 1217 N ARG A 486 52.434 17.037 -11.720 1.00 0.00 N ATOM 1218 CA ARG A 486 52.280 16.863 -13.194 1.00 0.00 C ATOM 1219 C ARG A 486 50.922 16.232 -13.513 1.00 0.00 C ATOM 1220 O ARG A 486 50.224 16.660 -14.411 1.00 0.00 O ATOM 1221 CB ARG A 486 53.417 15.926 -13.603 1.00 0.00 C ATOM 1222 CG ARG A 486 54.584 16.746 -14.159 1.00 0.00 C ATOM 1223 CD ARG A 486 55.909 16.112 -13.723 1.00 0.00 C ATOM 1224 NE ARG A 486 55.952 14.791 -14.412 1.00 0.00 N ATOM 1225 CZ ARG A 486 56.890 13.933 -14.117 1.00 0.00 C ATOM 1226 NH1 ARG A 486 57.217 13.725 -12.871 1.00 0.00 N ATOM 1227 NH2 ARG A 486 57.500 13.282 -15.070 1.00 0.00 N ATOM 0 H ARG A 486 52.251 16.202 -11.164 1.00 0.00 H new ATOM 0 HA ARG A 486 52.322 17.812 -13.729 1.00 0.00 H new ATOM 0 HB2 ARG A 486 53.747 15.342 -12.744 1.00 0.00 H new ATOM 0 HB3 ARG A 486 53.066 15.218 -14.354 1.00 0.00 H new ATOM 0 HG2 ARG A 486 54.528 16.786 -15.247 1.00 0.00 H new ATOM 0 HG3 ARG A 486 54.524 17.773 -13.799 1.00 0.00 H new ATOM 0 HD2 ARG A 486 56.757 16.734 -14.010 1.00 0.00 H new ATOM 0 HD3 ARG A 486 55.952 15.994 -12.640 1.00 0.00 H new ATOM 0 HE ARG A 486 55.249 14.558 -15.113 1.00 0.00 H new ATOM 0 HH11 ARG A 486 56.739 14.233 -12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 486 57.950 13.054 -12.641 1.00 0.00 H new ATOM 0 HH21 ARG A 486 57.243 13.444 -16.044 1.00 0.00 H new ATOM 0 HH22 ARG A 486 58.233 12.611 -14.841 1.00 0.00 H new ATOM 1241 N ALA A 487 50.545 15.213 -12.784 1.00 0.00 N ATOM 1242 CA ALA A 487 49.231 14.546 -13.038 1.00 0.00 C ATOM 1243 C ALA A 487 49.102 14.160 -14.516 1.00 0.00 C ATOM 1244 O ALA A 487 47.981 14.044 -14.982 1.00 0.00 O ATOM 1245 CB ALA A 487 48.173 15.584 -12.660 1.00 0.00 C ATOM 1246 OXT ALA A 487 50.128 13.989 -15.153 1.00 0.00 O ATOM 0 H ALA A 487 51.092 14.813 -12.022 1.00 0.00 H new ATOM 0 HA ALA A 487 49.123 13.627 -12.462 1.00 0.00 H new ATOM 0 HB1 ALA A 487 47.179 15.166 -12.820 1.00 0.00 H new ATOM 0 HB2 ALA A 487 48.288 15.855 -11.610 1.00 0.00 H new ATOM 0 HB3 ALA A 487 48.297 16.472 -13.280 1.00 0.00 H new TER 1252 ALA A 487 HETATM 1253 ZN ZN A 488 64.606 0.440 -5.292 1.00 0.00 ZN HETATM 1254 ZN ZN A 489 55.261 6.520 -3.597 1.00 0.00 ZN