USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 420 MET CE :methyl -160:sc= -0.392 (180deg=-0.969) USER MOD Single : A 423 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 425 LYS NZ :NH3+ -138:sc= -0.304 (180deg=-1.58!) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot -74:sc= 0.675 USER MOD Single : A 445 HIS : no HD1:sc= -0.504 K(o=-0.5,f=-1) USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 451 HIS : no HE2:sc= -1.33! C(o=-1.3!,f=-4.6!) USER MOD Single : A 452 CYS SG : rot 47:sc= -0.908 USER MOD Single : A 456 LYS NZ :NH3+ 160:sc= -2.56! (180deg=-2.99!) USER MOD Single : A 458 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.5) USER MOD Single : A 459 HIS : no HE2:sc= -2.19! C(o=-2.2!,f=-3.8!) USER MOD Single : A 460 LYS NZ :NH3+ -163:sc= -0.0216 (180deg=-0.311) USER MOD Single : A 465 SER OG : rot 180:sc= 0 USER MOD Single : A 466 TYR OH : rot 180:sc= 0 USER MOD Single : A 469 ASN : amide:sc= -0.0348 K(o=-0.035,f=-1.9!) USER MOD Single : A 470 SER OG : rot 170:sc= -0.369 USER MOD Single : A 473 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 478 SER OG : rot 112:sc= -1.63! USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 418 8.579 -5.719 10.803 1.00 0.00 N ATOM 19 CA GLU A 418 7.381 -5.157 10.117 1.00 0.00 C ATOM 20 C GLU A 418 7.771 -3.916 9.314 1.00 0.00 C ATOM 21 O GLU A 418 8.776 -3.288 9.581 1.00 0.00 O ATOM 22 CB GLU A 418 6.338 -4.769 11.167 1.00 0.00 C ATOM 23 CG GLU A 418 5.776 -6.032 11.819 1.00 0.00 C ATOM 24 CD GLU A 418 4.795 -5.643 12.925 1.00 0.00 C ATOM 25 OE1 GLU A 418 4.597 -4.456 13.123 1.00 0.00 O ATOM 26 OE2 GLU A 418 4.261 -6.539 13.557 1.00 0.00 O ATOM 0 HA GLU A 418 6.970 -5.907 9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 418 6.789 -4.127 11.923 1.00 0.00 H new ATOM 0 HB3 GLU A 418 5.534 -4.198 10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.273 -6.646 11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 418 6.587 -6.632 12.232 1.00 0.00 H new ATOM 33 N VAL A 419 6.975 -3.559 8.333 1.00 0.00 N ATOM 34 CA VAL A 419 7.279 -2.351 7.499 1.00 0.00 C ATOM 35 C VAL A 419 6.127 -1.353 7.610 1.00 0.00 C ATOM 36 O VAL A 419 4.969 -1.702 7.478 1.00 0.00 O ATOM 37 CB VAL A 419 7.467 -2.771 6.040 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.699 -3.671 5.936 1.00 0.00 C ATOM 39 CG2 VAL A 419 6.235 -3.536 5.549 1.00 0.00 C ATOM 0 H VAL A 419 6.123 -4.056 8.073 1.00 0.00 H new ATOM 0 HA VAL A 419 8.196 -1.881 7.856 1.00 0.00 H new ATOM 0 HB VAL A 419 7.600 -1.882 5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.841 -3.975 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.578 -3.125 6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 419 8.557 -4.555 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 419 6.380 -3.830 4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 419 6.092 -4.426 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.355 -2.897 5.626 1.00 0.00 H new ATOM 49 N MET A 420 6.444 -0.113 7.866 1.00 0.00 N ATOM 50 CA MET A 420 5.389 0.934 8.007 1.00 0.00 C ATOM 51 C MET A 420 5.231 1.691 6.690 1.00 0.00 C ATOM 52 O MET A 420 6.179 1.881 5.955 1.00 0.00 O ATOM 53 CB MET A 420 5.796 1.902 9.131 1.00 0.00 C ATOM 54 CG MET A 420 6.856 2.894 8.630 1.00 0.00 C ATOM 55 SD MET A 420 7.786 3.554 10.034 1.00 0.00 S ATOM 56 CE MET A 420 6.424 4.458 10.808 1.00 0.00 C ATOM 0 H MET A 420 7.399 0.224 7.985 1.00 0.00 H new ATOM 0 HA MET A 420 4.435 0.468 8.255 1.00 0.00 H new ATOM 0 HB2 MET A 420 4.920 2.445 9.486 1.00 0.00 H new ATOM 0 HB3 MET A 420 6.188 1.340 9.979 1.00 0.00 H new ATOM 0 HG2 MET A 420 7.533 2.397 7.934 1.00 0.00 H new ATOM 0 HG3 MET A 420 6.378 3.707 8.084 1.00 0.00 H new ATOM 0 HE1 MET A 420 6.826 5.218 11.478 1.00 0.00 H new ATOM 0 HE2 MET A 420 5.820 4.936 10.037 1.00 0.00 H new ATOM 0 HE3 MET A 420 5.804 3.765 11.376 1.00 0.00 H new ATOM 66 N VAL A 421 4.035 2.131 6.396 1.00 0.00 N ATOM 67 CA VAL A 421 3.789 2.891 5.134 1.00 0.00 C ATOM 68 C VAL A 421 3.041 4.175 5.474 1.00 0.00 C ATOM 69 O VAL A 421 2.468 4.305 6.542 1.00 0.00 O ATOM 70 CB VAL A 421 2.959 2.040 4.174 1.00 0.00 C ATOM 71 CG1 VAL A 421 3.762 0.799 3.787 1.00 0.00 C ATOM 72 CG2 VAL A 421 1.656 1.611 4.855 1.00 0.00 C ATOM 0 H VAL A 421 3.211 1.995 6.982 1.00 0.00 H new ATOM 0 HA VAL A 421 4.737 3.135 4.654 1.00 0.00 H new ATOM 0 HB VAL A 421 2.722 2.622 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.177 0.186 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 421 4.689 1.103 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 421 3.994 0.222 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.068 1.005 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 421 1.886 1.027 5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.085 2.495 5.138 1.00 0.00 H new ATOM 82 N PHE A 422 3.056 5.129 4.582 1.00 0.00 N ATOM 83 CA PHE A 422 2.369 6.430 4.841 1.00 0.00 C ATOM 84 C PHE A 422 1.141 6.549 3.944 1.00 0.00 C ATOM 85 O PHE A 422 1.233 6.519 2.734 1.00 0.00 O ATOM 86 CB PHE A 422 3.339 7.568 4.525 1.00 0.00 C ATOM 87 CG PHE A 422 4.470 7.548 5.525 1.00 0.00 C ATOM 88 CD1 PHE A 422 5.563 6.695 5.330 1.00 0.00 C ATOM 89 CD2 PHE A 422 4.427 8.387 6.645 1.00 0.00 C ATOM 90 CE1 PHE A 422 6.612 6.678 6.257 1.00 0.00 C ATOM 91 CE2 PHE A 422 5.477 8.370 7.571 1.00 0.00 C ATOM 92 CZ PHE A 422 6.569 7.515 7.378 1.00 0.00 C ATOM 0 H PHE A 422 3.519 5.063 3.676 1.00 0.00 H new ATOM 0 HA PHE A 422 2.057 6.482 5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.730 7.458 3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.820 8.526 4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 422 5.597 6.050 4.464 1.00 0.00 H new ATOM 0 HD2 PHE A 422 3.585 9.047 6.794 1.00 0.00 H new ATOM 0 HE1 PHE A 422 7.454 6.019 6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 422 5.445 9.017 8.435 1.00 0.00 H new ATOM 0 HZ PHE A 422 7.378 7.501 8.094 1.00 0.00 H new ATOM 102 N THR A 423 -0.012 6.690 4.536 1.00 0.00 N ATOM 103 CA THR A 423 -1.261 6.819 3.736 1.00 0.00 C ATOM 104 C THR A 423 -1.484 8.305 3.418 1.00 0.00 C ATOM 105 O THR A 423 -1.033 9.165 4.149 1.00 0.00 O ATOM 106 CB THR A 423 -2.438 6.279 4.567 1.00 0.00 C ATOM 107 OG1 THR A 423 -2.943 7.316 5.396 1.00 0.00 O ATOM 108 CG2 THR A 423 -1.968 5.111 5.441 1.00 0.00 C ATOM 0 H THR A 423 -0.143 6.722 5.547 1.00 0.00 H new ATOM 0 HA THR A 423 -1.185 6.254 2.807 1.00 0.00 H new ATOM 0 HB THR A 423 -3.222 5.930 3.895 1.00 0.00 H new ATOM 0 HG1 THR A 423 -3.694 6.975 5.925 1.00 0.00 H new ATOM 0 HG21 THR A 423 -2.807 4.734 6.026 1.00 0.00 H new ATOM 0 HG22 THR A 423 -1.581 4.314 4.806 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.181 5.453 6.113 1.00 0.00 H new ATOM 116 N PRO A 424 -2.177 8.615 2.347 1.00 0.00 N ATOM 117 CA PRO A 424 -2.458 10.032 1.960 1.00 0.00 C ATOM 118 C PRO A 424 -3.203 10.775 3.073 1.00 0.00 C ATOM 119 O PRO A 424 -3.311 11.987 3.068 1.00 0.00 O ATOM 120 CB PRO A 424 -3.325 9.907 0.686 1.00 0.00 C ATOM 121 CG PRO A 424 -3.841 8.503 0.699 1.00 0.00 C ATOM 122 CD PRO A 424 -2.765 7.671 1.385 1.00 0.00 C ATOM 0 HA PRO A 424 -1.548 10.607 1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -4.143 10.627 0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -2.737 10.102 -0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -4.787 8.439 1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -4.026 8.145 -0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -3.187 6.798 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -2.024 7.305 0.674 1.00 0.00 H new ATOM 130 N LYS A 425 -3.708 10.053 4.033 1.00 0.00 N ATOM 131 CA LYS A 425 -4.437 10.702 5.158 1.00 0.00 C ATOM 132 C LYS A 425 -3.427 11.147 6.221 1.00 0.00 C ATOM 133 O LYS A 425 -3.778 11.759 7.211 1.00 0.00 O ATOM 134 CB LYS A 425 -5.413 9.692 5.767 1.00 0.00 C ATOM 135 CG LYS A 425 -6.494 9.339 4.736 1.00 0.00 C ATOM 136 CD LYS A 425 -7.531 8.387 5.357 1.00 0.00 C ATOM 137 CE LYS A 425 -7.025 6.940 5.306 1.00 0.00 C ATOM 138 NZ LYS A 425 -6.760 6.558 3.891 1.00 0.00 N ATOM 0 H LYS A 425 -3.647 9.036 4.087 1.00 0.00 H new ATOM 0 HA LYS A 425 -4.988 11.570 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -4.879 8.792 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -5.872 10.109 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -6.986 10.248 4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -6.036 8.871 3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -7.726 8.675 6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -8.476 8.468 4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -6.115 6.840 5.898 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -7.764 6.269 5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -7.107 5.592 3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -7.251 7.219 3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -5.737 6.596 3.707 1.00 0.00 H new ATOM 152 N GLY A 426 -2.171 10.837 6.023 1.00 0.00 N ATOM 153 CA GLY A 426 -1.131 11.231 7.017 1.00 0.00 C ATOM 154 C GLY A 426 -1.074 10.188 8.133 1.00 0.00 C ATOM 155 O GLY A 426 -0.347 10.331 9.097 1.00 0.00 O ATOM 0 H GLY A 426 -1.821 10.326 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 426 -0.159 11.312 6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -1.362 12.212 7.432 1.00 0.00 H new ATOM 159 N GLU A 427 -1.841 9.139 8.012 1.00 0.00 N ATOM 160 CA GLU A 427 -1.845 8.082 9.066 1.00 0.00 C ATOM 161 C GLU A 427 -0.741 7.063 8.787 1.00 0.00 C ATOM 162 O GLU A 427 -0.253 6.949 7.680 1.00 0.00 O ATOM 163 CB GLU A 427 -3.203 7.381 9.066 1.00 0.00 C ATOM 164 CG GLU A 427 -4.290 8.374 9.483 1.00 0.00 C ATOM 165 CD GLU A 427 -4.064 8.807 10.933 1.00 0.00 C ATOM 166 OE1 GLU A 427 -3.370 8.095 11.641 1.00 0.00 O ATOM 167 OE2 GLU A 427 -4.585 9.843 11.310 1.00 0.00 O ATOM 0 H GLU A 427 -2.468 8.967 7.226 1.00 0.00 H new ATOM 0 HA GLU A 427 -1.666 8.539 10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -3.419 6.984 8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -3.187 6.534 9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -4.273 9.244 8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -5.274 7.916 9.379 1.00 0.00 H new ATOM 174 N ILE A 428 -0.336 6.326 9.793 1.00 0.00 N ATOM 175 CA ILE A 428 0.749 5.310 9.614 1.00 0.00 C ATOM 176 C ILE A 428 0.171 3.909 9.793 1.00 0.00 C ATOM 177 O ILE A 428 -0.510 3.623 10.760 1.00 0.00 O ATOM 178 CB ILE A 428 1.836 5.555 10.662 1.00 0.00 C ATOM 179 CG1 ILE A 428 2.306 7.016 10.575 1.00 0.00 C ATOM 180 CG2 ILE A 428 3.021 4.617 10.418 1.00 0.00 C ATOM 181 CD1 ILE A 428 2.714 7.367 9.138 1.00 0.00 C ATOM 0 H ILE A 428 -0.714 6.385 10.739 1.00 0.00 H new ATOM 0 HA ILE A 428 1.175 5.396 8.614 1.00 0.00 H new ATOM 0 HB ILE A 428 1.429 5.359 11.654 1.00 0.00 H new ATOM 0 HG12 ILE A 428 1.508 7.681 10.905 1.00 0.00 H new ATOM 0 HG13 ILE A 428 3.150 7.173 11.247 1.00 0.00 H new ATOM 0 HG21 ILE A 428 3.790 4.799 11.169 1.00 0.00 H new ATOM 0 HG22 ILE A 428 2.686 3.582 10.485 1.00 0.00 H new ATOM 0 HG23 ILE A 428 3.433 4.801 9.426 1.00 0.00 H new ATOM 0 HD11 ILE A 428 3.044 8.405 9.097 1.00 0.00 H new ATOM 0 HD12 ILE A 428 3.528 6.715 8.821 1.00 0.00 H new ATOM 0 HD13 ILE A 428 1.861 7.231 8.474 1.00 0.00 H new ATOM 193 N LYS A 429 0.439 3.035 8.856 1.00 0.00 N ATOM 194 CA LYS A 429 -0.083 1.636 8.937 1.00 0.00 C ATOM 195 C LYS A 429 1.094 0.664 8.910 1.00 0.00 C ATOM 196 O LYS A 429 2.031 0.829 8.155 1.00 0.00 O ATOM 197 CB LYS A 429 -0.991 1.378 7.730 1.00 0.00 C ATOM 198 CG LYS A 429 -2.147 2.390 7.703 1.00 0.00 C ATOM 199 CD LYS A 429 -3.182 2.053 8.783 1.00 0.00 C ATOM 200 CE LYS A 429 -4.355 3.026 8.689 1.00 0.00 C ATOM 201 NZ LYS A 429 -5.351 2.689 9.743 1.00 0.00 N ATOM 0 H LYS A 429 1.003 3.233 8.030 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.648 1.496 9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.412 1.453 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.388 0.364 7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.761 3.397 7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.621 2.383 6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.534 1.029 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.725 2.113 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -4.005 4.051 8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -4.816 2.966 7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -6.154 3.348 9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -5.691 1.716 9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -4.905 2.767 10.679 1.00 0.00 H new ATOM 215 N ARG A 430 1.049 -0.348 9.739 1.00 0.00 N ATOM 216 CA ARG A 430 2.157 -1.348 9.788 1.00 0.00 C ATOM 217 C ARG A 430 1.720 -2.640 9.110 1.00 0.00 C ATOM 218 O ARG A 430 0.659 -3.165 9.383 1.00 0.00 O ATOM 219 CB ARG A 430 2.513 -1.633 11.244 1.00 0.00 C ATOM 220 CG ARG A 430 3.203 -0.407 11.841 1.00 0.00 C ATOM 221 CD ARG A 430 3.534 -0.671 13.310 1.00 0.00 C ATOM 222 NE ARG A 430 4.245 0.512 13.871 1.00 0.00 N ATOM 223 CZ ARG A 430 4.510 0.575 15.147 1.00 0.00 C ATOM 224 NH1 ARG A 430 4.149 -0.395 15.942 1.00 0.00 N ATOM 225 NH2 ARG A 430 5.140 1.612 15.628 1.00 0.00 N ATOM 0 H ARG A 430 0.284 -0.525 10.390 1.00 0.00 H new ATOM 0 HA ARG A 430 3.027 -0.948 9.267 1.00 0.00 H new ATOM 0 HB2 ARG A 430 1.613 -1.871 11.811 1.00 0.00 H new ATOM 0 HB3 ARG A 430 3.169 -2.501 11.307 1.00 0.00 H new ATOM 0 HG2 ARG A 430 4.115 -0.184 11.287 1.00 0.00 H new ATOM 0 HG3 ARG A 430 2.556 0.466 11.755 1.00 0.00 H new ATOM 0 HD2 ARG A 430 2.620 -0.862 13.873 1.00 0.00 H new ATOM 0 HD3 ARG A 430 4.156 -1.561 13.401 1.00 0.00 H new ATOM 0 HE ARG A 430 4.526 1.275 13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 430 3.658 -1.206 15.566 1.00 0.00 H new ATOM 0 HH12 ARG A 430 4.358 -0.342 16.939 1.00 0.00 H new ATOM 0 HH21 ARG A 430 5.423 2.370 15.007 1.00 0.00 H new ATOM 0 HH22 ARG A 430 5.349 1.665 16.625 1.00 0.00 H new ATOM 239 N LEU A 431 2.540 -3.157 8.228 1.00 0.00 N ATOM 240 CA LEU A 431 2.199 -4.425 7.513 1.00 0.00 C ATOM 241 C LEU A 431 3.286 -5.472 7.802 1.00 0.00 C ATOM 242 O LEU A 431 4.441 -5.134 7.972 1.00 0.00 O ATOM 243 CB LEU A 431 2.148 -4.152 6.008 1.00 0.00 C ATOM 244 CG LEU A 431 1.243 -2.946 5.733 1.00 0.00 C ATOM 245 CD1 LEU A 431 1.274 -2.624 4.238 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.197 -3.269 6.160 1.00 0.00 C ATOM 0 H LEU A 431 3.439 -2.750 7.971 1.00 0.00 H new ATOM 0 HA LEU A 431 1.232 -4.795 7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 431 3.152 -3.960 5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.771 -5.029 5.482 1.00 0.00 H new ATOM 0 HG LEU A 431 1.600 -2.087 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 431 0.632 -1.767 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 431 2.295 -2.391 3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 431 0.917 -3.485 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -0.837 -2.409 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -0.560 -4.128 5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.218 -3.500 7.225 1.00 0.00 H new ATOM 258 N PRO A 432 2.928 -6.734 7.859 1.00 0.00 N ATOM 259 CA PRO A 432 3.903 -7.830 8.132 1.00 0.00 C ATOM 260 C PRO A 432 4.931 -7.992 7.003 1.00 0.00 C ATOM 261 O PRO A 432 4.689 -7.637 5.867 1.00 0.00 O ATOM 262 CB PRO A 432 3.025 -9.087 8.286 1.00 0.00 C ATOM 263 CG PRO A 432 1.750 -8.769 7.567 1.00 0.00 C ATOM 264 CD PRO A 432 1.561 -7.255 7.674 1.00 0.00 C ATOM 0 HA PRO A 432 4.503 -7.628 9.019 1.00 0.00 H new ATOM 0 HB2 PRO A 432 3.512 -9.962 7.855 1.00 0.00 H new ATOM 0 HB3 PRO A 432 2.839 -9.311 9.336 1.00 0.00 H new ATOM 0 HG2 PRO A 432 1.804 -9.081 6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 432 0.909 -9.298 8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 432 1.097 -6.847 6.776 1.00 0.00 H new ATOM 0 HD3 PRO A 432 0.917 -6.992 8.513 1.00 0.00 H new ATOM 272 N GLN A 433 6.081 -8.515 7.326 1.00 0.00 N ATOM 273 CA GLN A 433 7.148 -8.694 6.301 1.00 0.00 C ATOM 274 C GLN A 433 6.614 -9.479 5.100 1.00 0.00 C ATOM 275 O GLN A 433 5.892 -10.447 5.242 1.00 0.00 O ATOM 276 CB GLN A 433 8.319 -9.451 6.928 1.00 0.00 C ATOM 277 CG GLN A 433 9.459 -9.557 5.916 1.00 0.00 C ATOM 278 CD GLN A 433 10.661 -10.241 6.567 1.00 0.00 C ATOM 279 OE1 GLN A 433 10.515 -11.247 7.232 1.00 0.00 O ATOM 280 NE2 GLN A 433 11.851 -9.731 6.406 1.00 0.00 N ATOM 0 H GLN A 433 6.330 -8.829 8.264 1.00 0.00 H new ATOM 0 HA GLN A 433 7.478 -7.714 5.955 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.661 -8.934 7.824 1.00 0.00 H new ATOM 0 HB3 GLN A 433 7.999 -10.446 7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 433 9.133 -10.124 5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 433 9.739 -8.564 5.564 1.00 0.00 H new ATOM 0 HE21 GLN A 433 11.973 -8.886 5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 433 12.660 -10.177 6.839 1.00 0.00 H new ATOM 289 N GLY A 434 6.968 -9.058 3.913 1.00 0.00 N ATOM 290 CA GLY A 434 6.493 -9.760 2.686 1.00 0.00 C ATOM 291 C GLY A 434 5.102 -9.243 2.314 1.00 0.00 C ATOM 292 O GLY A 434 4.407 -9.825 1.504 1.00 0.00 O ATOM 0 H GLY A 434 7.570 -8.253 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 434 7.188 -9.590 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 434 6.460 -10.836 2.859 1.00 0.00 H new ATOM 296 N ALA A 435 4.691 -8.156 2.906 1.00 0.00 N ATOM 297 CA ALA A 435 3.343 -7.596 2.601 1.00 0.00 C ATOM 298 C ALA A 435 3.310 -7.045 1.173 1.00 0.00 C ATOM 299 O ALA A 435 4.327 -6.693 0.610 1.00 0.00 O ATOM 300 CB ALA A 435 3.025 -6.468 3.584 1.00 0.00 C ATOM 0 H ALA A 435 5.233 -7.629 3.591 1.00 0.00 H new ATOM 0 HA ALA A 435 2.602 -8.389 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 435 2.040 -6.058 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 435 3.034 -6.859 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.774 -5.682 3.491 1.00 0.00 H new ATOM 306 N THR A 436 2.138 -6.977 0.586 1.00 0.00 N ATOM 307 CA THR A 436 2.003 -6.458 -0.812 1.00 0.00 C ATOM 308 C THR A 436 0.957 -5.343 -0.860 1.00 0.00 C ATOM 309 O THR A 436 0.304 -5.038 0.119 1.00 0.00 O ATOM 310 CB THR A 436 1.567 -7.598 -1.736 1.00 0.00 C ATOM 311 OG1 THR A 436 0.250 -8.007 -1.394 1.00 0.00 O ATOM 312 CG2 THR A 436 2.531 -8.774 -1.582 1.00 0.00 C ATOM 0 H THR A 436 1.261 -7.262 1.021 1.00 0.00 H new ATOM 0 HA THR A 436 2.964 -6.061 -1.139 1.00 0.00 H new ATOM 0 HB THR A 436 1.579 -7.256 -2.771 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.030 -8.736 -1.986 1.00 0.00 H new ATOM 0 HG21 THR A 436 2.222 -9.587 -2.239 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.539 -8.456 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.521 -9.120 -0.548 1.00 0.00 H new ATOM 320 N ALA A 437 0.804 -4.734 -2.002 1.00 0.00 N ATOM 321 CA ALA A 437 -0.186 -3.631 -2.156 1.00 0.00 C ATOM 322 C ALA A 437 -1.586 -4.123 -1.778 1.00 0.00 C ATOM 323 O ALA A 437 -2.396 -3.381 -1.258 1.00 0.00 O ATOM 324 CB ALA A 437 -0.186 -3.178 -3.617 1.00 0.00 C ATOM 0 H ALA A 437 1.330 -4.957 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 437 0.084 -2.803 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -0.906 -2.370 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.809 -2.825 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.461 -4.016 -4.258 1.00 0.00 H new ATOM 330 N LEU A 438 -1.880 -5.364 -2.037 1.00 0.00 N ATOM 331 CA LEU A 438 -3.227 -5.901 -1.697 1.00 0.00 C ATOM 332 C LEU A 438 -3.439 -5.848 -0.181 1.00 0.00 C ATOM 333 O LEU A 438 -4.499 -5.493 0.295 1.00 0.00 O ATOM 334 CB LEU A 438 -3.321 -7.354 -2.175 1.00 0.00 C ATOM 335 CG LEU A 438 -3.343 -7.403 -3.711 1.00 0.00 C ATOM 336 CD1 LEU A 438 -3.135 -8.850 -4.171 1.00 0.00 C ATOM 337 CD2 LEU A 438 -4.688 -6.875 -4.252 1.00 0.00 C ATOM 0 H LEU A 438 -1.244 -6.033 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 438 -3.993 -5.300 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.473 -7.925 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.222 -7.819 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 438 -2.543 -6.771 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.150 -8.891 -5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.174 -9.213 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -3.933 -9.477 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.684 -6.918 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.502 -7.490 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.830 -5.843 -3.930 1.00 0.00 H new ATOM 349 N ASP A 439 -2.438 -6.197 0.578 1.00 0.00 N ATOM 350 CA ASP A 439 -2.569 -6.176 2.065 1.00 0.00 C ATOM 351 C ASP A 439 -2.885 -4.755 2.538 1.00 0.00 C ATOM 352 O ASP A 439 -3.727 -4.543 3.389 1.00 0.00 O ATOM 353 CB ASP A 439 -1.244 -6.630 2.677 1.00 0.00 C ATOM 354 CG ASP A 439 -1.347 -6.626 4.201 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.357 -6.166 4.707 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.413 -7.084 4.838 1.00 0.00 O ATOM 0 H ASP A 439 -1.527 -6.498 0.231 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.375 -6.841 2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -0.994 -7.630 2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -0.440 -5.968 2.356 1.00 0.00 H new ATOM 361 N PHE A 440 -2.215 -3.784 1.990 1.00 0.00 N ATOM 362 CA PHE A 440 -2.463 -2.372 2.392 1.00 0.00 C ATOM 363 C PHE A 440 -3.912 -1.985 2.078 1.00 0.00 C ATOM 364 O PHE A 440 -4.582 -1.350 2.869 1.00 0.00 O ATOM 365 CB PHE A 440 -1.508 -1.463 1.622 1.00 0.00 C ATOM 366 CG PHE A 440 -1.759 -0.024 2.007 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.464 0.412 3.303 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.285 0.873 1.070 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.695 1.745 3.664 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.515 2.206 1.429 1.00 0.00 C ATOM 371 CZ PHE A 440 -2.221 2.642 2.726 1.00 0.00 C ATOM 0 H PHE A 440 -1.499 -3.908 1.274 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.295 -2.262 3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.475 -1.734 1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.651 -1.593 0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -1.058 -0.280 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.513 0.536 0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -1.468 2.081 4.665 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -2.919 2.898 0.705 1.00 0.00 H new ATOM 0 HZ PHE A 440 -2.400 3.670 3.003 1.00 0.00 H new ATOM 381 N ALA A 441 -4.397 -2.359 0.927 1.00 0.00 N ATOM 382 CA ALA A 441 -5.797 -2.012 0.555 1.00 0.00 C ATOM 383 C ALA A 441 -6.759 -2.544 1.620 1.00 0.00 C ATOM 384 O ALA A 441 -7.668 -1.860 2.050 1.00 0.00 O ATOM 385 CB ALA A 441 -6.129 -2.656 -0.792 1.00 0.00 C ATOM 0 H ALA A 441 -3.882 -2.892 0.226 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.899 -0.929 0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.153 -2.407 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.444 -2.282 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -6.028 -3.738 -0.713 1.00 0.00 H new ATOM 391 N TYR A 442 -6.562 -3.758 2.051 1.00 0.00 N ATOM 392 CA TYR A 442 -7.455 -4.338 3.092 1.00 0.00 C ATOM 393 C TYR A 442 -7.295 -3.559 4.398 1.00 0.00 C ATOM 394 O TYR A 442 -8.244 -3.355 5.130 1.00 0.00 O ATOM 395 CB TYR A 442 -7.084 -5.803 3.328 1.00 0.00 C ATOM 396 CG TYR A 442 -7.528 -6.634 2.144 1.00 0.00 C ATOM 397 CD1 TYR A 442 -8.892 -6.776 1.865 1.00 0.00 C ATOM 398 CD2 TYR A 442 -6.578 -7.265 1.330 1.00 0.00 C ATOM 399 CE1 TYR A 442 -9.307 -7.545 0.771 1.00 0.00 C ATOM 400 CE2 TYR A 442 -6.994 -8.034 0.236 1.00 0.00 C ATOM 401 CZ TYR A 442 -8.358 -8.173 -0.043 1.00 0.00 C ATOM 402 OH TYR A 442 -8.768 -8.930 -1.122 1.00 0.00 O ATOM 0 H TYR A 442 -5.818 -4.376 1.726 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.489 -4.274 2.754 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -6.007 -5.898 3.469 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.558 -6.167 4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -9.625 -6.292 2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -5.525 -7.158 1.546 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -10.360 -7.653 0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -6.262 -8.520 -0.392 1.00 0.00 H new ATOM 0 HH TYR A 442 -7.984 -9.295 -1.582 1.00 0.00 H new ATOM 412 N SER A 443 -6.104 -3.124 4.697 1.00 0.00 N ATOM 413 CA SER A 443 -5.889 -2.362 5.956 1.00 0.00 C ATOM 414 C SER A 443 -6.778 -1.115 5.941 1.00 0.00 C ATOM 415 O SER A 443 -7.277 -0.682 6.960 1.00 0.00 O ATOM 416 CB SER A 443 -4.422 -1.946 6.049 1.00 0.00 C ATOM 417 OG SER A 443 -4.186 -0.861 5.161 1.00 0.00 O ATOM 0 H SER A 443 -5.271 -3.263 4.125 1.00 0.00 H new ATOM 0 HA SER A 443 -6.143 -2.982 6.815 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.178 -1.655 7.071 1.00 0.00 H new ATOM 0 HB3 SER A 443 -3.776 -2.787 5.795 1.00 0.00 H new ATOM 0 HG SER A 443 -4.167 -1.191 4.239 1.00 0.00 H new ATOM 423 N LEU A 444 -6.981 -0.541 4.787 1.00 0.00 N ATOM 424 CA LEU A 444 -7.841 0.672 4.693 1.00 0.00 C ATOM 425 C LEU A 444 -9.310 0.276 4.854 1.00 0.00 C ATOM 426 O LEU A 444 -9.910 0.484 5.890 1.00 0.00 O ATOM 427 CB LEU A 444 -7.650 1.326 3.324 1.00 0.00 C ATOM 428 CG LEU A 444 -6.176 1.690 3.114 1.00 0.00 C ATOM 429 CD1 LEU A 444 -6.002 2.296 1.716 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.724 2.705 4.181 1.00 0.00 C ATOM 0 H LEU A 444 -6.587 -0.861 3.902 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.561 1.371 5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -7.980 0.646 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -8.268 2.221 3.251 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.566 0.792 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -4.955 2.557 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.311 1.570 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -6.616 3.192 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.675 2.957 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -6.330 3.608 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.847 2.269 5.173 1.00 0.00 H new ATOM 442 N HIS A 445 -9.901 -0.282 3.826 1.00 0.00 N ATOM 443 CA HIS A 445 -11.341 -0.682 3.906 1.00 0.00 C ATOM 444 C HIS A 445 -11.569 -1.984 3.134 1.00 0.00 C ATOM 445 O HIS A 445 -10.642 -2.608 2.656 1.00 0.00 O ATOM 446 CB HIS A 445 -12.208 0.414 3.288 1.00 0.00 C ATOM 447 CG HIS A 445 -11.991 1.704 4.025 1.00 0.00 C ATOM 448 ND1 HIS A 445 -12.361 1.870 5.349 1.00 0.00 N ATOM 449 CD2 HIS A 445 -11.449 2.903 3.633 1.00 0.00 C ATOM 450 CE1 HIS A 445 -12.038 3.126 5.706 1.00 0.00 C ATOM 451 NE2 HIS A 445 -11.479 3.801 4.696 1.00 0.00 N ATOM 0 H HIS A 445 -9.448 -0.478 2.933 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.608 -0.828 4.953 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -11.958 0.539 2.235 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -13.259 0.129 3.334 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -11.059 3.117 2.649 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -12.209 3.539 6.689 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -11.147 4.765 4.703 1.00 0.00 H new ATOM 459 N SER A 446 -12.807 -2.389 3.012 1.00 0.00 N ATOM 460 CA SER A 446 -13.136 -3.645 2.272 1.00 0.00 C ATOM 461 C SER A 446 -13.714 -3.293 0.899 1.00 0.00 C ATOM 462 O SER A 446 -13.230 -3.736 -0.125 1.00 0.00 O ATOM 463 CB SER A 446 -14.182 -4.424 3.066 1.00 0.00 C ATOM 464 OG SER A 446 -14.420 -5.674 2.434 1.00 0.00 O ATOM 0 H SER A 446 -13.613 -1.897 3.398 1.00 0.00 H new ATOM 0 HA SER A 446 -12.234 -4.244 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 446 -13.836 -4.581 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 446 -15.108 -3.853 3.127 1.00 0.00 H new ATOM 0 HG SER A 446 -15.090 -6.176 2.944 1.00 0.00 H new ATOM 470 N ASP A 447 -14.752 -2.500 0.872 1.00 0.00 N ATOM 471 CA ASP A 447 -15.370 -2.117 -0.428 1.00 0.00 C ATOM 472 C ASP A 447 -14.364 -1.328 -1.268 1.00 0.00 C ATOM 473 O ASP A 447 -14.160 -1.602 -2.435 1.00 0.00 O ATOM 474 CB ASP A 447 -16.596 -1.237 -0.163 1.00 0.00 C ATOM 475 CG ASP A 447 -16.194 -0.044 0.709 1.00 0.00 C ATOM 476 OD1 ASP A 447 -15.154 -0.121 1.343 1.00 0.00 O ATOM 477 OD2 ASP A 447 -16.937 0.924 0.734 1.00 0.00 O ATOM 0 H ASP A 447 -15.199 -2.101 1.697 1.00 0.00 H new ATOM 0 HA ASP A 447 -15.665 -3.018 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -17.015 -0.886 -1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -17.373 -1.818 0.334 1.00 0.00 H new ATOM 482 N LEU A 448 -13.744 -0.347 -0.683 1.00 0.00 N ATOM 483 CA LEU A 448 -12.758 0.475 -1.430 1.00 0.00 C ATOM 484 C LEU A 448 -11.577 -0.409 -1.846 1.00 0.00 C ATOM 485 O LEU A 448 -11.078 -0.329 -2.951 1.00 0.00 O ATOM 486 CB LEU A 448 -12.269 1.601 -0.502 1.00 0.00 C ATOM 487 CG LEU A 448 -11.856 2.841 -1.315 1.00 0.00 C ATOM 488 CD1 LEU A 448 -10.843 2.444 -2.398 1.00 0.00 C ATOM 489 CD2 LEU A 448 -13.101 3.493 -1.968 1.00 0.00 C ATOM 0 H LEU A 448 -13.879 -0.076 0.291 1.00 0.00 H new ATOM 0 HA LEU A 448 -13.213 0.902 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -13.059 1.868 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -11.423 1.250 0.088 1.00 0.00 H new ATOM 0 HG LEU A 448 -11.394 3.564 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -10.556 3.327 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -9.959 2.012 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -11.294 1.711 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -12.795 4.369 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -13.581 2.775 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -13.804 3.794 -1.191 1.00 0.00 H new ATOM 501 N GLY A 449 -11.122 -1.242 -0.950 1.00 0.00 N ATOM 502 CA GLY A 449 -9.966 -2.125 -1.262 1.00 0.00 C ATOM 503 C GLY A 449 -10.333 -3.105 -2.376 1.00 0.00 C ATOM 504 O GLY A 449 -9.548 -3.375 -3.262 1.00 0.00 O ATOM 0 H GLY A 449 -11.505 -1.348 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -9.111 -1.522 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -9.668 -2.674 -0.369 1.00 0.00 H new ATOM 508 N ASP A 450 -11.518 -3.644 -2.332 1.00 0.00 N ATOM 509 CA ASP A 450 -11.940 -4.612 -3.383 1.00 0.00 C ATOM 510 C ASP A 450 -12.127 -3.883 -4.715 1.00 0.00 C ATOM 511 O ASP A 450 -11.987 -4.457 -5.777 1.00 0.00 O ATOM 512 CB ASP A 450 -13.262 -5.258 -2.969 1.00 0.00 C ATOM 513 CG ASP A 450 -13.623 -6.366 -3.958 1.00 0.00 C ATOM 514 OD1 ASP A 450 -12.935 -6.489 -4.957 1.00 0.00 O ATOM 515 OD2 ASP A 450 -14.580 -7.075 -3.696 1.00 0.00 O ATOM 0 H ASP A 450 -12.215 -3.456 -1.612 1.00 0.00 H new ATOM 0 HA ASP A 450 -11.173 -5.378 -3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -13.179 -5.668 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -14.053 -4.508 -2.943 1.00 0.00 H new ATOM 520 N HIS A 451 -12.447 -2.620 -4.665 1.00 0.00 N ATOM 521 CA HIS A 451 -12.653 -1.843 -5.920 1.00 0.00 C ATOM 522 C HIS A 451 -11.313 -1.272 -6.386 1.00 0.00 C ATOM 523 O HIS A 451 -11.257 -0.354 -7.180 1.00 0.00 O ATOM 524 CB HIS A 451 -13.641 -0.705 -5.647 1.00 0.00 C ATOM 525 CG HIS A 451 -15.015 -1.283 -5.438 1.00 0.00 C ATOM 526 ND1 HIS A 451 -15.727 -1.102 -4.261 1.00 0.00 N ATOM 527 CD2 HIS A 451 -15.820 -2.048 -6.247 1.00 0.00 C ATOM 528 CE1 HIS A 451 -16.902 -1.744 -4.395 1.00 0.00 C ATOM 529 NE2 HIS A 451 -17.010 -2.337 -5.586 1.00 0.00 N ATOM 0 H HIS A 451 -12.576 -2.089 -3.804 1.00 0.00 H new ATOM 0 HA HIS A 451 -13.055 -2.491 -6.699 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -13.332 -0.142 -4.766 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.650 -0.007 -6.484 1.00 0.00 H new ATOM 0 HD1 HIS A 451 -15.416 -0.578 -3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -15.567 -2.375 -7.245 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -17.665 -1.776 -3.631 1.00 0.00 H new ATOM 537 N CYS A 452 -10.230 -1.812 -5.896 1.00 0.00 N ATOM 538 CA CYS A 452 -8.893 -1.305 -6.308 1.00 0.00 C ATOM 539 C CYS A 452 -8.516 -1.894 -7.668 1.00 0.00 C ATOM 540 O CYS A 452 -8.362 -3.089 -7.820 1.00 0.00 O ATOM 541 CB CYS A 452 -7.855 -1.718 -5.264 1.00 0.00 C ATOM 542 SG CYS A 452 -8.003 -0.641 -3.821 1.00 0.00 S ATOM 0 H CYS A 452 -10.215 -2.583 -5.228 1.00 0.00 H new ATOM 0 HA CYS A 452 -8.922 -0.218 -6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -8.007 -2.758 -4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -6.852 -1.648 -5.684 1.00 0.00 H new ATOM 0 HG CYS A 452 -9.255 -0.529 -3.490 1.00 0.00 H new ATOM 548 N ILE A 453 -8.362 -1.054 -8.658 1.00 0.00 N ATOM 549 CA ILE A 453 -7.989 -1.538 -10.021 1.00 0.00 C ATOM 550 C ILE A 453 -6.493 -1.310 -10.249 1.00 0.00 C ATOM 551 O ILE A 453 -5.953 -1.666 -11.277 1.00 0.00 O ATOM 552 CB ILE A 453 -8.802 -0.766 -11.067 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.563 0.741 -10.909 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.290 -1.064 -10.875 1.00 0.00 C ATOM 555 CD1 ILE A 453 -9.265 1.489 -12.044 1.00 0.00 C ATOM 0 H ILE A 453 -8.480 -0.044 -8.580 1.00 0.00 H new ATOM 0 HA ILE A 453 -8.204 -2.603 -10.110 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.488 -1.077 -12.063 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -8.942 1.081 -9.945 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.494 0.954 -10.925 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -10.870 -0.516 -11.618 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.465 -2.133 -10.995 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.597 -0.756 -9.876 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -9.096 2.560 -11.933 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -8.865 1.156 -13.002 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -10.335 1.285 -12.007 1.00 0.00 H new ATOM 567 N GLY A 454 -5.817 -0.716 -9.303 1.00 0.00 N ATOM 568 CA GLY A 454 -4.360 -0.471 -9.489 1.00 0.00 C ATOM 569 C GLY A 454 -3.735 0.030 -8.184 1.00 0.00 C ATOM 570 O GLY A 454 -4.406 0.215 -7.190 1.00 0.00 O ATOM 0 H GLY A 454 -6.207 -0.393 -8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -3.867 -1.390 -9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -4.206 0.263 -10.280 1.00 0.00 H new ATOM 574 N ALA A 455 -2.447 0.250 -8.188 1.00 0.00 N ATOM 575 CA ALA A 455 -1.761 0.739 -6.958 1.00 0.00 C ATOM 576 C ALA A 455 -0.516 1.528 -7.361 1.00 0.00 C ATOM 577 O ALA A 455 0.086 1.269 -8.384 1.00 0.00 O ATOM 578 CB ALA A 455 -1.343 -0.450 -6.094 1.00 0.00 C ATOM 0 H ALA A 455 -1.838 0.111 -8.995 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.440 1.377 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.842 -0.089 -5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -2.226 -1.023 -5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.662 -1.088 -6.658 1.00 0.00 H new ATOM 584 N LYS A 456 -0.128 2.489 -6.564 1.00 0.00 N ATOM 585 CA LYS A 456 1.082 3.308 -6.890 1.00 0.00 C ATOM 586 C LYS A 456 1.933 3.485 -5.635 1.00 0.00 C ATOM 587 O LYS A 456 1.434 3.831 -4.583 1.00 0.00 O ATOM 588 CB LYS A 456 0.639 4.678 -7.402 1.00 0.00 C ATOM 589 CG LYS A 456 1.814 5.373 -8.094 1.00 0.00 C ATOM 590 CD LYS A 456 1.328 6.677 -8.738 1.00 0.00 C ATOM 591 CE LYS A 456 0.335 6.379 -9.877 1.00 0.00 C ATOM 592 NZ LYS A 456 -1.054 6.433 -9.339 1.00 0.00 N ATOM 0 H LYS A 456 -0.599 2.745 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 456 1.670 2.802 -7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -0.192 4.566 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 456 0.280 5.288 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 456 2.603 5.583 -7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 456 2.243 4.718 -8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 456 0.850 7.305 -7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 456 2.179 7.237 -9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 456 0.456 7.105 -10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 456 0.535 5.396 -10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 -1.724 6.572 -10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 -1.272 5.541 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 -1.136 7.223 -8.668 1.00 0.00 H new ATOM 606 N VAL A 457 3.217 3.251 -5.744 1.00 0.00 N ATOM 607 CA VAL A 457 4.128 3.400 -4.565 1.00 0.00 C ATOM 608 C VAL A 457 5.187 4.466 -4.867 1.00 0.00 C ATOM 609 O VAL A 457 5.828 4.452 -5.901 1.00 0.00 O ATOM 610 CB VAL A 457 4.804 2.055 -4.285 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.937 2.243 -3.273 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.767 1.085 -3.713 1.00 0.00 C ATOM 0 H VAL A 457 3.678 2.961 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 457 3.556 3.708 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 457 5.216 1.655 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 457 6.414 1.282 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.673 2.938 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 457 5.532 2.642 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 457 4.240 0.124 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 457 3.361 1.491 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.961 0.948 -4.434 1.00 0.00 H new ATOM 622 N ASN A 458 5.367 5.388 -3.961 1.00 0.00 N ATOM 623 CA ASN A 458 6.377 6.467 -4.160 1.00 0.00 C ATOM 624 C ASN A 458 6.099 7.205 -5.472 1.00 0.00 C ATOM 625 O ASN A 458 6.997 7.508 -6.231 1.00 0.00 O ATOM 626 CB ASN A 458 7.787 5.864 -4.174 1.00 0.00 C ATOM 627 CG ASN A 458 8.821 6.982 -4.011 1.00 0.00 C ATOM 628 OD1 ASN A 458 9.417 7.417 -4.975 1.00 0.00 O ATOM 629 ND2 ASN A 458 9.058 7.466 -2.822 1.00 0.00 N ATOM 0 H ASN A 458 4.852 5.440 -3.082 1.00 0.00 H new ATOM 0 HA ASN A 458 6.309 7.179 -3.338 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.891 5.137 -3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 458 7.957 5.330 -5.109 1.00 0.00 H new ATOM 0 HD21 ASN A 458 9.745 8.211 -2.702 1.00 0.00 H new ATOM 0 HD22 ASN A 458 8.556 7.100 -2.013 1.00 0.00 H new ATOM 636 N HIS A 459 4.849 7.502 -5.734 1.00 0.00 N ATOM 637 CA HIS A 459 4.481 8.231 -6.984 1.00 0.00 C ATOM 638 C HIS A 459 4.957 7.446 -8.205 1.00 0.00 C ATOM 639 O HIS A 459 4.973 7.954 -9.309 1.00 0.00 O ATOM 640 CB HIS A 459 5.126 9.621 -6.982 1.00 0.00 C ATOM 641 CG HIS A 459 4.596 10.418 -8.141 1.00 0.00 C ATOM 642 ND1 HIS A 459 5.204 10.410 -9.386 1.00 0.00 N ATOM 643 CD2 HIS A 459 3.516 11.257 -8.257 1.00 0.00 C ATOM 644 CE1 HIS A 459 4.493 11.221 -10.190 1.00 0.00 C ATOM 645 NE2 HIS A 459 3.451 11.763 -9.552 1.00 0.00 N ATOM 0 H HIS A 459 4.062 7.267 -5.128 1.00 0.00 H new ATOM 0 HA HIS A 459 3.397 8.336 -7.027 1.00 0.00 H new ATOM 0 HB2 HIS A 459 4.909 10.133 -6.045 1.00 0.00 H new ATOM 0 HB3 HIS A 459 6.210 9.531 -7.053 1.00 0.00 H new ATOM 0 HD1 HIS A 459 6.039 9.885 -9.646 1.00 0.00 H new ATOM 0 HD2 HIS A 459 2.821 11.489 -7.463 1.00 0.00 H new ATOM 0 HE1 HIS A 459 4.735 11.411 -11.225 1.00 0.00 H new ATOM 653 N LYS A 460 5.342 6.210 -8.014 1.00 0.00 N ATOM 654 CA LYS A 460 5.822 5.370 -9.156 1.00 0.00 C ATOM 655 C LYS A 460 4.842 4.222 -9.393 1.00 0.00 C ATOM 656 O LYS A 460 4.386 3.575 -8.471 1.00 0.00 O ATOM 657 CB LYS A 460 7.204 4.810 -8.821 1.00 0.00 C ATOM 658 CG LYS A 460 7.725 3.997 -10.006 1.00 0.00 C ATOM 659 CD LYS A 460 9.150 3.531 -9.711 1.00 0.00 C ATOM 660 CE LYS A 460 9.688 2.744 -10.906 1.00 0.00 C ATOM 661 NZ LYS A 460 8.934 1.464 -11.040 1.00 0.00 N ATOM 0 H LYS A 460 5.345 5.742 -7.108 1.00 0.00 H new ATOM 0 HA LYS A 460 5.885 5.978 -10.059 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.893 5.624 -8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 460 7.148 4.182 -7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 460 7.079 3.138 -10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.708 4.602 -10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 460 9.790 4.390 -9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 460 9.162 2.908 -8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 460 9.589 3.334 -11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 460 10.750 2.540 -10.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 9.467 0.809 -11.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 8.805 1.037 -10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 8.004 1.652 -11.465 1.00 0.00 H new ATOM 675 N LEU A 461 4.509 3.971 -10.629 1.00 0.00 N ATOM 676 CA LEU A 461 3.550 2.876 -10.943 1.00 0.00 C ATOM 677 C LEU A 461 4.167 1.523 -10.598 1.00 0.00 C ATOM 678 O LEU A 461 5.306 1.246 -10.917 1.00 0.00 O ATOM 679 CB LEU A 461 3.205 2.915 -12.438 1.00 0.00 C ATOM 680 CG LEU A 461 2.274 1.746 -12.803 1.00 0.00 C ATOM 681 CD1 LEU A 461 1.010 1.777 -11.928 1.00 0.00 C ATOM 682 CD2 LEU A 461 1.879 1.862 -14.280 1.00 0.00 C ATOM 0 H LEU A 461 4.862 4.480 -11.439 1.00 0.00 H new ATOM 0 HA LEU A 461 2.644 3.014 -10.352 1.00 0.00 H new ATOM 0 HB2 LEU A 461 2.724 3.862 -12.682 1.00 0.00 H new ATOM 0 HB3 LEU A 461 4.118 2.860 -13.030 1.00 0.00 H new ATOM 0 HG LEU A 461 2.796 0.805 -12.630 1.00 0.00 H new ATOM 0 HD11 LEU A 461 0.360 0.944 -12.197 1.00 0.00 H new ATOM 0 HD12 LEU A 461 1.292 1.693 -10.878 1.00 0.00 H new ATOM 0 HD13 LEU A 461 0.480 2.716 -12.087 1.00 0.00 H new ATOM 0 HD21 LEU A 461 1.219 1.036 -14.546 1.00 0.00 H new ATOM 0 HD22 LEU A 461 1.362 2.807 -14.445 1.00 0.00 H new ATOM 0 HD23 LEU A 461 2.775 1.825 -14.900 1.00 0.00 H new ATOM 694 N VAL A 462 3.414 0.668 -9.957 1.00 0.00 N ATOM 695 CA VAL A 462 3.944 -0.679 -9.601 1.00 0.00 C ATOM 696 C VAL A 462 2.791 -1.695 -9.623 1.00 0.00 C ATOM 697 O VAL A 462 1.652 -1.347 -9.377 1.00 0.00 O ATOM 698 CB VAL A 462 4.559 -0.636 -8.199 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.944 0.009 -8.267 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.659 0.183 -7.268 1.00 0.00 C ATOM 0 H VAL A 462 2.453 0.846 -9.665 1.00 0.00 H new ATOM 0 HA VAL A 462 4.709 -0.973 -10.320 1.00 0.00 H new ATOM 0 HB VAL A 462 4.650 -1.652 -7.814 1.00 0.00 H new ATOM 0 HG11 VAL A 462 6.381 0.039 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.586 -0.576 -8.926 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.854 1.024 -8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 462 4.098 0.213 -6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.565 1.198 -7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.673 -0.278 -7.217 1.00 0.00 H new ATOM 710 N PRO A 463 3.082 -2.941 -9.910 1.00 0.00 N ATOM 711 CA PRO A 463 2.047 -4.017 -9.953 1.00 0.00 C ATOM 712 C PRO A 463 1.474 -4.332 -8.563 1.00 0.00 C ATOM 713 O PRO A 463 2.050 -3.997 -7.546 1.00 0.00 O ATOM 714 CB PRO A 463 2.798 -5.229 -10.534 1.00 0.00 C ATOM 715 CG PRO A 463 4.240 -4.982 -10.218 1.00 0.00 C ATOM 716 CD PRO A 463 4.423 -3.465 -10.232 1.00 0.00 C ATOM 0 HA PRO A 463 1.182 -3.726 -10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 463 2.450 -6.160 -10.086 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.639 -5.313 -11.609 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.502 -5.397 -9.245 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.887 -5.459 -10.953 1.00 0.00 H new ATOM 0 HD2 PRO A 463 5.163 -3.145 -9.498 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.766 -3.113 -11.205 1.00 0.00 H new ATOM 724 N LEU A 464 0.339 -4.971 -8.527 1.00 0.00 N ATOM 725 CA LEU A 464 -0.299 -5.319 -7.226 1.00 0.00 C ATOM 726 C LEU A 464 0.611 -6.278 -6.450 1.00 0.00 C ATOM 727 O LEU A 464 0.734 -6.196 -5.244 1.00 0.00 O ATOM 728 CB LEU A 464 -1.649 -5.996 -7.499 1.00 0.00 C ATOM 729 CG LEU A 464 -2.710 -4.935 -7.801 1.00 0.00 C ATOM 730 CD1 LEU A 464 -2.303 -4.145 -9.048 1.00 0.00 C ATOM 731 CD2 LEU A 464 -4.055 -5.619 -8.050 1.00 0.00 C ATOM 0 H LEU A 464 -0.180 -5.271 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.453 -4.416 -6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.558 -6.682 -8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -1.950 -6.589 -6.635 1.00 0.00 H new ATOM 0 HG LEU A 464 -2.796 -4.256 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.059 -3.390 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.343 -3.659 -8.873 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -2.217 -4.824 -9.897 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -4.812 -4.865 -8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -3.967 -6.297 -8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -4.346 -6.183 -7.164 1.00 0.00 H new ATOM 743 N SER A 465 1.246 -7.190 -7.132 1.00 0.00 N ATOM 744 CA SER A 465 2.141 -8.156 -6.437 1.00 0.00 C ATOM 745 C SER A 465 3.442 -7.448 -6.043 1.00 0.00 C ATOM 746 O SER A 465 4.397 -8.068 -5.618 1.00 0.00 O ATOM 747 CB SER A 465 2.453 -9.318 -7.382 1.00 0.00 C ATOM 748 OG SER A 465 3.250 -8.843 -8.461 1.00 0.00 O ATOM 0 H SER A 465 1.183 -7.308 -8.143 1.00 0.00 H new ATOM 0 HA SER A 465 1.652 -8.537 -5.540 1.00 0.00 H new ATOM 0 HB2 SER A 465 2.979 -10.107 -6.845 1.00 0.00 H new ATOM 0 HB3 SER A 465 1.528 -9.752 -7.761 1.00 0.00 H new ATOM 0 HG SER A 465 3.454 -9.585 -9.068 1.00 0.00 H new ATOM 754 N TYR A 466 3.482 -6.152 -6.186 1.00 0.00 N ATOM 755 CA TYR A 466 4.712 -5.387 -5.832 1.00 0.00 C ATOM 756 C TYR A 466 4.928 -5.404 -4.312 1.00 0.00 C ATOM 757 O TYR A 466 4.010 -5.214 -3.539 1.00 0.00 O ATOM 758 CB TYR A 466 4.555 -3.945 -6.315 1.00 0.00 C ATOM 759 CG TYR A 466 5.783 -3.150 -5.945 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.956 -3.286 -6.697 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.749 -2.274 -4.854 1.00 0.00 C ATOM 762 CE1 TYR A 466 8.095 -2.547 -6.358 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.888 -1.534 -4.514 1.00 0.00 C ATOM 764 CZ TYR A 466 8.061 -1.671 -5.266 1.00 0.00 C ATOM 765 OH TYR A 466 9.184 -0.943 -4.931 1.00 0.00 O ATOM 0 H TYR A 466 2.709 -5.585 -6.536 1.00 0.00 H new ATOM 0 HA TYR A 466 5.576 -5.847 -6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 466 4.409 -3.927 -7.395 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.669 -3.495 -5.866 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.982 -3.962 -7.539 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.844 -2.169 -4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 466 9.000 -2.652 -6.938 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.862 -0.858 -3.672 1.00 0.00 H new ATOM 0 HH TYR A 466 8.990 -0.384 -4.150 1.00 0.00 H new ATOM 775 N VAL A 467 6.141 -5.639 -3.884 1.00 0.00 N ATOM 776 CA VAL A 467 6.433 -5.679 -2.420 1.00 0.00 C ATOM 777 C VAL A 467 6.507 -4.256 -1.853 1.00 0.00 C ATOM 778 O VAL A 467 7.173 -3.393 -2.390 1.00 0.00 O ATOM 779 CB VAL A 467 7.768 -6.394 -2.202 1.00 0.00 C ATOM 780 CG1 VAL A 467 8.159 -6.324 -0.726 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.626 -7.859 -2.621 1.00 0.00 C ATOM 0 H VAL A 467 6.946 -5.806 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 467 5.636 -6.215 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 467 8.540 -5.910 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 467 9.110 -6.835 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 467 8.256 -5.281 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 467 7.390 -6.806 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.574 -8.375 -2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.852 -8.336 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 467 7.350 -7.911 -3.674 1.00 0.00 H new ATOM 791 N LEU A 468 5.820 -4.008 -0.768 1.00 0.00 N ATOM 792 CA LEU A 468 5.834 -2.647 -0.153 1.00 0.00 C ATOM 793 C LEU A 468 7.144 -2.424 0.605 1.00 0.00 C ATOM 794 O LEU A 468 7.717 -3.342 1.156 1.00 0.00 O ATOM 795 CB LEU A 468 4.662 -2.524 0.823 1.00 0.00 C ATOM 796 CG LEU A 468 3.339 -2.769 0.086 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.183 -2.687 1.087 1.00 0.00 C ATOM 798 CD2 LEU A 468 3.145 -1.715 -1.018 1.00 0.00 C ATOM 0 H LEU A 468 5.246 -4.695 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 468 5.746 -1.899 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.775 -3.244 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.658 -1.533 1.276 1.00 0.00 H new ATOM 0 HG LEU A 468 3.359 -3.758 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.240 -2.860 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.317 -3.444 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.168 -1.698 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 468 2.203 -1.898 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 468 3.127 -0.720 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.968 -1.778 -1.730 1.00 0.00 H new ATOM 810 N ASN A 469 7.619 -1.199 0.634 1.00 0.00 N ATOM 811 CA ASN A 469 8.895 -0.882 1.353 1.00 0.00 C ATOM 812 C ASN A 469 8.658 0.241 2.364 1.00 0.00 C ATOM 813 O ASN A 469 7.850 1.125 2.154 1.00 0.00 O ATOM 814 CB ASN A 469 9.949 -0.441 0.341 1.00 0.00 C ATOM 815 CG ASN A 469 10.417 -1.657 -0.459 1.00 0.00 C ATOM 816 OD1 ASN A 469 10.219 -2.782 -0.045 1.00 0.00 O ATOM 817 ND2 ASN A 469 11.035 -1.479 -1.592 1.00 0.00 N ATOM 0 H ASN A 469 7.172 -0.399 0.186 1.00 0.00 H new ATOM 0 HA ASN A 469 9.241 -1.771 1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.535 0.312 -0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.794 0.019 0.854 1.00 0.00 H new ATOM 0 HD21 ASN A 469 11.353 -2.284 -2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 469 11.201 -0.534 -1.939 1.00 0.00 H new ATOM 824 N SER A 470 9.356 0.199 3.463 1.00 0.00 N ATOM 825 CA SER A 470 9.186 1.242 4.515 1.00 0.00 C ATOM 826 C SER A 470 9.755 2.584 4.049 1.00 0.00 C ATOM 827 O SER A 470 10.786 2.650 3.407 1.00 0.00 O ATOM 828 CB SER A 470 9.922 0.794 5.773 1.00 0.00 C ATOM 829 OG SER A 470 9.319 -0.392 6.270 1.00 0.00 O ATOM 0 H SER A 470 10.045 -0.521 3.681 1.00 0.00 H new ATOM 0 HA SER A 470 8.123 1.370 4.718 1.00 0.00 H new ATOM 0 HB2 SER A 470 10.974 0.615 5.549 1.00 0.00 H new ATOM 0 HB3 SER A 470 9.886 1.579 6.529 1.00 0.00 H new ATOM 0 HG SER A 470 9.880 -0.773 6.978 1.00 0.00 H new ATOM 835 N GLY A 471 9.087 3.660 4.383 1.00 0.00 N ATOM 836 CA GLY A 471 9.568 5.017 3.984 1.00 0.00 C ATOM 837 C GLY A 471 8.835 5.470 2.722 1.00 0.00 C ATOM 838 O GLY A 471 8.745 6.648 2.432 1.00 0.00 O ATOM 0 H GLY A 471 8.220 3.655 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.395 5.728 4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.643 4.995 3.804 1.00 0.00 H new ATOM 842 N ASP A 472 8.317 4.545 1.961 1.00 0.00 N ATOM 843 CA ASP A 472 7.600 4.923 0.708 1.00 0.00 C ATOM 844 C ASP A 472 6.151 5.307 1.014 1.00 0.00 C ATOM 845 O ASP A 472 5.664 5.120 2.112 1.00 0.00 O ATOM 846 CB ASP A 472 7.616 3.741 -0.267 1.00 0.00 C ATOM 847 CG ASP A 472 6.724 2.608 0.255 1.00 0.00 C ATOM 848 OD1 ASP A 472 6.228 2.728 1.363 1.00 0.00 O ATOM 849 OD2 ASP A 472 6.551 1.640 -0.467 1.00 0.00 O ATOM 0 H ASP A 472 8.359 3.544 2.152 1.00 0.00 H new ATOM 0 HA ASP A 472 8.105 5.780 0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.267 4.065 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 472 8.637 3.380 -0.395 1.00 0.00 H new ATOM 854 N GLN A 473 5.459 5.832 0.035 1.00 0.00 N ATOM 855 CA GLN A 473 4.030 6.229 0.225 1.00 0.00 C ATOM 856 C GLN A 473 3.154 5.310 -0.623 1.00 0.00 C ATOM 857 O GLN A 473 3.375 5.143 -1.807 1.00 0.00 O ATOM 858 CB GLN A 473 3.838 7.678 -0.224 1.00 0.00 C ATOM 859 CG GLN A 473 2.401 8.109 0.075 1.00 0.00 C ATOM 860 CD GLN A 473 2.194 9.557 -0.368 1.00 0.00 C ATOM 861 OE1 GLN A 473 2.624 9.946 -1.436 1.00 0.00 O ATOM 862 NE2 GLN A 473 1.548 10.375 0.415 1.00 0.00 N ATOM 0 H GLN A 473 5.828 6.005 -0.900 1.00 0.00 H new ATOM 0 HA GLN A 473 3.754 6.143 1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.541 8.329 0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 473 4.044 7.772 -1.290 1.00 0.00 H new ATOM 0 HG2 GLN A 473 1.700 7.456 -0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.197 8.012 1.141 1.00 0.00 H new ATOM 0 HE21 GLN A 473 1.188 10.046 1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 473 1.402 11.344 0.132 1.00 0.00 H new ATOM 871 N VAL A 474 2.166 4.701 -0.023 1.00 0.00 N ATOM 872 CA VAL A 474 1.273 3.773 -0.780 1.00 0.00 C ATOM 873 C VAL A 474 -0.053 4.464 -1.089 1.00 0.00 C ATOM 874 O VAL A 474 -0.676 5.049 -0.225 1.00 0.00 O ATOM 875 CB VAL A 474 1.003 2.536 0.073 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.094 1.578 -0.697 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.327 1.842 0.391 1.00 0.00 C ATOM 0 H VAL A 474 1.937 4.807 0.965 1.00 0.00 H new ATOM 0 HA VAL A 474 1.757 3.488 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 474 0.515 2.830 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 474 -0.100 0.694 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.849 2.075 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 474 0.582 1.281 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.137 0.958 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 474 2.814 1.545 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 474 2.975 2.527 0.938 1.00 0.00 H new ATOM 887 N GLU A 475 -0.489 4.389 -2.319 1.00 0.00 N ATOM 888 CA GLU A 475 -1.783 5.025 -2.712 1.00 0.00 C ATOM 889 C GLU A 475 -2.577 4.035 -3.564 1.00 0.00 C ATOM 890 O GLU A 475 -2.164 3.656 -4.643 1.00 0.00 O ATOM 891 CB GLU A 475 -1.508 6.297 -3.515 1.00 0.00 C ATOM 892 CG GLU A 475 -2.836 6.968 -3.865 1.00 0.00 C ATOM 893 CD GLU A 475 -2.573 8.287 -4.591 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.441 8.508 -4.986 1.00 0.00 O ATOM 895 OE2 GLU A 475 -3.510 9.055 -4.738 1.00 0.00 O ATOM 0 H GLU A 475 -0.000 3.910 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.355 5.287 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -0.884 6.978 -2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -0.958 6.055 -4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.433 6.308 -4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.412 7.150 -2.958 1.00 0.00 H new ATOM 902 N VAL A 476 -3.713 3.606 -3.084 1.00 0.00 N ATOM 903 CA VAL A 476 -4.536 2.630 -3.858 1.00 0.00 C ATOM 904 C VAL A 476 -5.418 3.371 -4.860 1.00 0.00 C ATOM 905 O VAL A 476 -6.093 4.324 -4.531 1.00 0.00 O ATOM 906 CB VAL A 476 -5.412 1.818 -2.897 1.00 0.00 C ATOM 907 CG1 VAL A 476 -4.555 0.759 -2.201 1.00 0.00 C ATOM 908 CG2 VAL A 476 -6.023 2.748 -1.843 1.00 0.00 C ATOM 0 H VAL A 476 -4.108 3.889 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.874 1.955 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 476 -6.211 1.334 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.176 0.180 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.121 0.094 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -3.757 1.247 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.645 2.167 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.226 3.234 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -6.633 3.505 -2.336 1.00 0.00 H new ATOM 918 N LEU A 477 -5.408 2.933 -6.089 1.00 0.00 N ATOM 919 CA LEU A 477 -6.235 3.594 -7.135 1.00 0.00 C ATOM 920 C LEU A 477 -7.625 2.967 -7.162 1.00 0.00 C ATOM 921 O LEU A 477 -7.786 1.779 -6.967 1.00 0.00 O ATOM 922 CB LEU A 477 -5.564 3.403 -8.494 1.00 0.00 C ATOM 923 CG LEU A 477 -4.146 3.983 -8.454 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.465 3.745 -9.805 1.00 0.00 C ATOM 925 CD2 LEU A 477 -4.199 5.492 -8.157 1.00 0.00 C ATOM 0 H LEU A 477 -4.857 2.139 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.326 4.657 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.527 2.343 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -6.148 3.896 -9.271 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.578 3.490 -7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.456 4.156 -9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.416 2.674 -10.004 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -4.038 4.235 -10.592 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.186 5.893 -8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.769 5.997 -8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.679 5.656 -7.192 1.00 0.00 H new ATOM 937 N SER A 478 -8.629 3.768 -7.403 1.00 0.00 N ATOM 938 CA SER A 478 -10.032 3.254 -7.451 1.00 0.00 C ATOM 939 C SER A 478 -10.648 3.613 -8.803 1.00 0.00 C ATOM 940 O SER A 478 -10.242 4.555 -9.454 1.00 0.00 O ATOM 941 CB SER A 478 -10.842 3.904 -6.331 1.00 0.00 C ATOM 942 OG SER A 478 -10.284 3.534 -5.077 1.00 0.00 O ATOM 0 H SER A 478 -8.536 4.770 -7.571 1.00 0.00 H new ATOM 0 HA SER A 478 -10.038 2.172 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 478 -10.833 4.988 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 478 -11.883 3.587 -6.387 1.00 0.00 H new ATOM 0 HG SER A 478 -9.882 4.321 -4.653 1.00 0.00 H new