USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 390 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 Set 1.1: A 510 LYS NZ :NH3+ 171:sc= -2.17! (180deg=-3.59!) USER MOD Set 1.2: A 520 THR OG1 : rot 75:sc= 2.21 USER MOD Single : A 508 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 512 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.45) USER MOD Single : A 514 ASN : amide:sc=-0.000873 X(o=-0.00087,f=-0.005) USER MOD Single : A 516 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.17) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot -58:sc= -0.622! USER MOD Single : A 521 GLN : amide:sc= -2.06 K(o=-2.1,f=-0.81) USER MOD Single : A 534 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 73:sc= 0.345 USER MOD Single : A 548 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 549 HIS : no HE2:sc= -2.24 K(o=-2.2,f=-7.8!) USER MOD Single : A 550 ASN : amide:sc= -0.937 K(o=-0.94,f=-2!) USER MOD Single : A 551 GLN : amide:sc= -1.67 K(o=-1.7,f=-3.6) USER MOD Single : A 560 GLN : amide:sc= -4.25! K(o=-4.3!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -18.448 5.255 -3.384 1.00 0.00 N ATOM 2 CA ALA A 507 -17.139 4.935 -4.011 1.00 0.00 C ATOM 3 C ALA A 507 -16.837 3.447 -3.925 1.00 0.00 C ATOM 4 O ALA A 507 -17.323 2.753 -3.031 1.00 0.00 O ATOM 5 CB ALA A 507 -16.025 5.726 -3.348 1.00 0.00 C ATOM 0 HA ALA A 507 -17.198 5.214 -5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -15.074 5.480 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -16.220 6.793 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -15.981 5.474 -2.288 1.00 0.00 H new ATOM 13 N GLN A 508 -16.020 2.963 -4.852 1.00 0.00 N ATOM 14 CA GLN A 508 -15.640 1.559 -4.873 1.00 0.00 C ATOM 15 C GLN A 508 -14.125 1.409 -4.951 1.00 0.00 C ATOM 16 O GLN A 508 -13.575 1.110 -6.011 1.00 0.00 O ATOM 17 CB GLN A 508 -16.299 0.843 -6.053 1.00 0.00 C ATOM 18 CG GLN A 508 -17.819 0.906 -6.031 1.00 0.00 C ATOM 19 CD GLN A 508 -18.389 1.703 -7.187 1.00 0.00 C ATOM 20 OE1 GLN A 508 -17.899 2.786 -7.511 1.00 0.00 O ATOM 21 NE2 GLN A 508 -19.430 1.172 -7.818 1.00 0.00 N ATOM 0 H GLN A 508 -15.609 3.523 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 508 -15.986 1.102 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -15.939 1.284 -6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -15.987 -0.201 -6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -18.221 -0.107 -6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -18.146 1.352 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -19.804 0.272 -7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -19.855 1.664 -8.604 1.00 0.00 H new ATOM 30 N PRO A 509 -13.428 1.612 -3.822 1.00 0.00 N ATOM 31 CA PRO A 509 -11.970 1.494 -3.762 1.00 0.00 C ATOM 32 C PRO A 509 -11.507 0.065 -4.008 1.00 0.00 C ATOM 33 O PRO A 509 -10.845 -0.226 -5.004 1.00 0.00 O ATOM 34 CB PRO A 509 -11.624 1.924 -2.327 1.00 0.00 C ATOM 35 CG PRO A 509 -12.845 2.611 -1.814 1.00 0.00 C ATOM 36 CD PRO A 509 -14.003 1.972 -2.518 1.00 0.00 C ATOM 0 HA PRO A 509 -11.482 2.099 -4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -11.369 1.063 -1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -10.763 2.592 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -12.933 2.496 -0.734 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -12.806 3.681 -2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -14.370 1.097 -1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -14.843 2.659 -2.621 1.00 0.00 H new ATOM 44 N LYS A 510 -11.871 -0.822 -3.088 1.00 0.00 N ATOM 45 CA LYS A 510 -11.513 -2.231 -3.180 1.00 0.00 C ATOM 46 C LYS A 510 -12.061 -2.999 -1.987 1.00 0.00 C ATOM 47 O LYS A 510 -12.482 -4.150 -2.106 1.00 0.00 O ATOM 48 CB LYS A 510 -9.991 -2.400 -3.272 1.00 0.00 C ATOM 49 CG LYS A 510 -9.248 -2.130 -1.969 1.00 0.00 C ATOM 50 CD LYS A 510 -9.000 -0.644 -1.763 1.00 0.00 C ATOM 51 CE LYS A 510 -9.196 -0.242 -0.308 1.00 0.00 C ATOM 52 NZ LYS A 510 -8.134 0.692 0.157 1.00 0.00 N ATOM 0 H LYS A 510 -12.420 -0.585 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 510 -11.958 -2.637 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -9.770 -3.416 -3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -9.609 -1.728 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.826 -2.522 -1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.296 -2.661 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -7.986 -0.396 -2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -9.678 -0.070 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -10.172 0.230 -0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -9.195 -1.134 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -8.383 1.061 1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -7.227 0.186 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -8.049 1.482 -0.514 1.00 0.00 H new ATOM 66 N CYS A 511 -12.056 -2.336 -0.844 1.00 0.00 N ATOM 67 CA CYS A 511 -12.554 -2.914 0.400 1.00 0.00 C ATOM 68 C CYS A 511 -12.075 -4.354 0.582 1.00 0.00 C ATOM 69 O CYS A 511 -12.872 -5.291 0.623 1.00 0.00 O ATOM 70 CB CYS A 511 -14.082 -2.846 0.430 1.00 0.00 C ATOM 71 SG CYS A 511 -14.744 -1.631 1.615 1.00 0.00 S ATOM 0 H CYS A 511 -11.708 -1.382 -0.748 1.00 0.00 H new ATOM 0 HA CYS A 511 -12.154 -2.331 1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -14.445 -2.600 -0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -14.475 -3.832 0.678 1.00 0.00 H new ATOM 76 N ASN A 512 -10.761 -4.516 0.696 1.00 0.00 N ATOM 77 CA ASN A 512 -10.159 -5.829 0.882 1.00 0.00 C ATOM 78 C ASN A 512 -9.069 -5.764 1.947 1.00 0.00 C ATOM 79 O ASN A 512 -7.888 -5.648 1.628 1.00 0.00 O ATOM 80 CB ASN A 512 -9.575 -6.340 -0.436 1.00 0.00 C ATOM 81 CG ASN A 512 -9.729 -7.841 -0.594 1.00 0.00 C ATOM 82 OD1 ASN A 512 -10.572 -8.313 -1.357 1.00 0.00 O ATOM 83 ND2 ASN A 512 -8.913 -8.598 0.129 1.00 0.00 N ATOM 0 H ASN A 512 -10.090 -3.748 0.662 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.934 -6.521 1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -10.068 -5.837 -1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -8.518 -6.079 -0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -8.970 -9.614 0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -8.229 -8.163 0.749 1.00 0.00 H new ATOM 90 N PRO A 513 -9.459 -5.828 3.234 1.00 0.00 N ATOM 91 CA PRO A 513 -8.514 -5.763 4.357 1.00 0.00 C ATOM 92 C PRO A 513 -7.681 -7.036 4.522 1.00 0.00 C ATOM 93 O PRO A 513 -6.968 -7.193 5.512 1.00 0.00 O ATOM 94 CB PRO A 513 -9.422 -5.560 5.571 1.00 0.00 C ATOM 95 CG PRO A 513 -10.725 -6.165 5.178 1.00 0.00 C ATOM 96 CD PRO A 513 -10.855 -5.959 3.693 1.00 0.00 C ATOM 0 HA PRO A 513 -7.778 -4.973 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -9.012 -6.045 6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.533 -4.502 5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.752 -7.226 5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -11.550 -5.691 5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -11.356 -6.800 3.215 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -11.438 -5.067 3.462 1.00 0.00 H new ATOM 104 N ASN A 514 -7.768 -7.940 3.549 1.00 0.00 N ATOM 105 CA ASN A 514 -7.018 -9.188 3.597 1.00 0.00 C ATOM 106 C ASN A 514 -5.713 -9.073 2.811 1.00 0.00 C ATOM 107 O ASN A 514 -4.753 -9.796 3.078 1.00 0.00 O ATOM 108 CB ASN A 514 -7.871 -10.331 3.042 1.00 0.00 C ATOM 109 CG ASN A 514 -7.124 -11.651 3.000 1.00 0.00 C ATOM 110 OD1 ASN A 514 -6.568 -12.030 1.969 1.00 0.00 O ATOM 111 ND2 ASN A 514 -7.109 -12.358 4.123 1.00 0.00 N ATOM 0 H ASN A 514 -8.351 -7.830 2.719 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.769 -9.399 4.637 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.765 -10.443 3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.205 -10.075 2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -6.623 -13.254 4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -7.583 -12.005 4.954 1.00 0.00 H new ATOM 118 N LEU A 515 -5.683 -8.162 1.842 1.00 0.00 N ATOM 119 CA LEU A 515 -4.494 -7.959 1.021 1.00 0.00 C ATOM 120 C LEU A 515 -3.538 -6.964 1.676 1.00 0.00 C ATOM 121 O LEU A 515 -3.434 -5.815 1.249 1.00 0.00 O ATOM 122 CB LEU A 515 -4.890 -7.465 -0.371 1.00 0.00 C ATOM 123 CG LEU A 515 -5.751 -8.435 -1.181 1.00 0.00 C ATOM 124 CD1 LEU A 515 -6.050 -7.861 -2.557 1.00 0.00 C ATOM 125 CD2 LEU A 515 -5.060 -9.785 -1.304 1.00 0.00 C ATOM 0 H LEU A 515 -6.467 -7.554 1.607 1.00 0.00 H new ATOM 0 HA LEU A 515 -3.981 -8.916 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -5.430 -6.524 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.983 -7.250 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 515 -6.695 -8.578 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.664 -8.565 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -6.586 -6.918 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -5.115 -7.688 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.687 -10.463 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.101 -9.658 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.897 -10.202 -0.310 1.00 0.00 H new ATOM 137 N HIS A 516 -2.847 -7.415 2.717 1.00 0.00 N ATOM 138 CA HIS A 516 -1.900 -6.567 3.437 1.00 0.00 C ATOM 139 C HIS A 516 -0.552 -6.488 2.719 1.00 0.00 C ATOM 140 O HIS A 516 0.323 -5.719 3.114 1.00 0.00 O ATOM 141 CB HIS A 516 -1.698 -7.091 4.860 1.00 0.00 C ATOM 142 CG HIS A 516 -1.178 -8.494 4.913 1.00 0.00 C ATOM 143 ND1 HIS A 516 0.167 -8.797 4.961 1.00 0.00 N ATOM 144 CD2 HIS A 516 -1.831 -9.681 4.926 1.00 0.00 C ATOM 145 CE1 HIS A 516 0.319 -10.109 5.000 1.00 0.00 C ATOM 146 NE2 HIS A 516 -0.877 -10.668 4.980 1.00 0.00 N ATOM 0 H HIS A 516 -2.924 -8.364 3.083 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.321 -5.562 3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -1.004 -6.435 5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -2.647 -7.044 5.394 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.901 -9.824 4.899 1.00 0.00 H new ATOM 0 HE1 HIS A 516 1.261 -10.635 5.041 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -1.063 -11.671 5.001 1.00 0.00 H new ATOM 155 N TYR A 517 -0.385 -7.289 1.670 1.00 0.00 N ATOM 156 CA TYR A 517 0.863 -7.307 0.915 1.00 0.00 C ATOM 157 C TYR A 517 1.036 -6.035 0.087 1.00 0.00 C ATOM 158 O TYR A 517 2.109 -5.431 0.080 1.00 0.00 O ATOM 159 CB TYR A 517 0.909 -8.530 -0.002 1.00 0.00 C ATOM 160 CG TYR A 517 1.045 -9.839 0.742 1.00 0.00 C ATOM 161 CD1 TYR A 517 2.245 -10.193 1.349 1.00 0.00 C ATOM 162 CD2 TYR A 517 -0.024 -10.721 0.837 1.00 0.00 C ATOM 163 CE1 TYR A 517 2.373 -11.389 2.030 1.00 0.00 C ATOM 164 CE2 TYR A 517 0.097 -11.918 1.517 1.00 0.00 C ATOM 165 CZ TYR A 517 1.297 -12.247 2.111 1.00 0.00 C ATOM 166 OH TYR A 517 1.421 -13.439 2.788 1.00 0.00 O ATOM 0 H TYR A 517 -1.097 -7.933 1.325 1.00 0.00 H new ATOM 0 HA TYR A 517 1.682 -7.359 1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 517 0.001 -8.557 -0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 517 1.746 -8.425 -0.692 1.00 0.00 H new ATOM 0 HD1 TYR A 517 3.090 -9.523 1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -0.965 -10.467 0.372 1.00 0.00 H new ATOM 0 HE1 TYR A 517 3.311 -11.650 2.496 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -0.744 -12.592 1.583 1.00 0.00 H new ATOM 0 HH TYR A 517 0.571 -13.926 2.752 1.00 0.00 H new ATOM 176 N TRP A 518 -0.018 -5.639 -0.620 1.00 0.00 N ATOM 177 CA TRP A 518 0.031 -4.447 -1.461 1.00 0.00 C ATOM 178 C TRP A 518 -0.652 -3.251 -0.801 1.00 0.00 C ATOM 179 O TRP A 518 -0.638 -2.150 -1.348 1.00 0.00 O ATOM 180 CB TRP A 518 -0.624 -4.732 -2.813 1.00 0.00 C ATOM 181 CG TRP A 518 0.260 -5.494 -3.753 1.00 0.00 C ATOM 182 CD1 TRP A 518 1.257 -4.984 -4.536 1.00 0.00 C ATOM 183 CD2 TRP A 518 0.230 -6.903 -4.009 1.00 0.00 C ATOM 184 NE1 TRP A 518 1.846 -5.990 -5.263 1.00 0.00 N ATOM 185 CE2 TRP A 518 1.233 -7.177 -4.957 1.00 0.00 C ATOM 186 CE3 TRP A 518 -0.549 -7.960 -3.528 1.00 0.00 C ATOM 187 CZ2 TRP A 518 1.477 -8.462 -5.433 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -0.306 -9.235 -4.000 1.00 0.00 C ATOM 189 CH2 TRP A 518 0.700 -9.478 -4.944 1.00 0.00 C ATOM 0 H TRP A 518 -0.915 -6.125 -0.628 1.00 0.00 H new ATOM 0 HA TRP A 518 1.081 -4.193 -1.604 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.543 -5.296 -2.652 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -0.907 -3.788 -3.277 1.00 0.00 H new ATOM 0 HD1 TRP A 518 1.540 -3.943 -4.577 1.00 0.00 H new ATOM 0 HE1 TRP A 518 2.615 -5.873 -5.923 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -1.327 -7.782 -2.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 2.251 -8.651 -6.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -0.902 -10.059 -3.635 1.00 0.00 H new ATOM 0 HH2 TRP A 518 0.866 -10.486 -5.293 1.00 0.00 H new ATOM 200 N THR A 519 -1.248 -3.467 0.368 1.00 0.00 N ATOM 201 CA THR A 519 -1.935 -2.398 1.090 1.00 0.00 C ATOM 202 C THR A 519 -3.018 -1.760 0.214 1.00 0.00 C ATOM 203 O THR A 519 -4.202 -2.059 0.366 1.00 0.00 O ATOM 204 CB THR A 519 -0.932 -1.343 1.580 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.600 -0.431 0.549 1.00 0.00 O ATOM 206 CG2 THR A 519 0.361 -1.945 2.084 1.00 0.00 C ATOM 0 H THR A 519 -1.270 -4.373 0.837 1.00 0.00 H new ATOM 0 HA THR A 519 -2.422 -2.833 1.963 1.00 0.00 H new ATOM 0 HB THR A 519 -1.435 -0.835 2.403 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.235 -0.922 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 519 1.028 -1.149 2.416 1.00 0.00 H new ATOM 0 HG22 THR A 519 0.150 -2.613 2.919 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.838 -2.507 1.281 1.00 0.00 H new ATOM 214 N THR A 520 -2.610 -0.894 -0.713 1.00 0.00 N ATOM 215 CA THR A 520 -3.545 -0.233 -1.615 1.00 0.00 C ATOM 216 C THR A 520 -2.786 0.760 -2.481 1.00 0.00 C ATOM 217 O THR A 520 -2.711 0.609 -3.701 1.00 0.00 O ATOM 218 CB THR A 520 -4.654 0.477 -0.827 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.741 -0.400 -0.585 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.206 1.697 -1.531 1.00 0.00 C ATOM 0 H THR A 520 -1.634 -0.635 -0.857 1.00 0.00 H new ATOM 0 HA THR A 520 -4.017 -0.982 -2.251 1.00 0.00 H new ATOM 0 HB THR A 520 -4.183 0.794 0.104 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.495 -1.041 0.115 1.00 0.00 H new ATOM 0 HG21 THR A 520 -5.986 2.149 -0.918 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.405 2.419 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.626 1.403 -2.493 1.00 0.00 H new ATOM 228 N GLN A 521 -2.189 1.754 -1.835 1.00 0.00 N ATOM 229 CA GLN A 521 -1.395 2.742 -2.543 1.00 0.00 C ATOM 230 C GLN A 521 -0.102 2.103 -3.013 1.00 0.00 C ATOM 231 O GLN A 521 0.617 2.661 -3.842 1.00 0.00 O ATOM 232 CB GLN A 521 -1.106 3.951 -1.651 1.00 0.00 C ATOM 233 CG GLN A 521 -1.962 5.164 -1.980 1.00 0.00 C ATOM 234 CD GLN A 521 -3.446 4.865 -1.910 1.00 0.00 C ATOM 235 OE1 GLN A 521 -4.153 4.930 -2.917 1.00 0.00 O ATOM 236 NE2 GLN A 521 -3.928 4.536 -0.718 1.00 0.00 N ATOM 0 H GLN A 521 -2.241 1.894 -0.826 1.00 0.00 H new ATOM 0 HA GLN A 521 -1.957 3.096 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -1.269 3.672 -0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.054 4.221 -1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.724 5.971 -1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -1.713 5.519 -2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -3.306 4.494 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -4.920 4.325 -0.610 1.00 0.00 H new ATOM 245 N ASP A 522 0.177 0.912 -2.491 1.00 0.00 N ATOM 246 CA ASP A 522 1.365 0.185 -2.870 1.00 0.00 C ATOM 247 C ASP A 522 1.061 -0.790 -4.007 1.00 0.00 C ATOM 248 O ASP A 522 1.970 -1.355 -4.615 1.00 0.00 O ATOM 249 CB ASP A 522 1.965 -0.557 -1.675 1.00 0.00 C ATOM 250 CG ASP A 522 1.982 0.285 -0.414 1.00 0.00 C ATOM 251 OD1 ASP A 522 1.712 1.501 -0.506 1.00 0.00 O ATOM 252 OD2 ASP A 522 2.268 -0.271 0.667 1.00 0.00 O ATOM 0 H ASP A 522 -0.409 0.437 -1.805 1.00 0.00 H new ATOM 0 HA ASP A 522 2.101 0.909 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.393 -1.467 -1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 522 2.983 -0.864 -1.916 1.00 0.00 H new ATOM 257 N GLU A 523 -0.228 -0.981 -4.289 1.00 0.00 N ATOM 258 CA GLU A 523 -0.662 -1.882 -5.351 1.00 0.00 C ATOM 259 C GLU A 523 0.154 -1.670 -6.625 1.00 0.00 C ATOM 260 O GLU A 523 0.327 -2.590 -7.424 1.00 0.00 O ATOM 261 CB GLU A 523 -2.151 -1.665 -5.640 1.00 0.00 C ATOM 262 CG GLU A 523 -2.453 -0.351 -6.345 1.00 0.00 C ATOM 263 CD GLU A 523 -2.833 -0.543 -7.800 1.00 0.00 C ATOM 264 OE1 GLU A 523 -3.646 -1.449 -8.087 1.00 0.00 O ATOM 265 OE2 GLU A 523 -2.319 0.210 -8.653 1.00 0.00 O ATOM 0 H GLU A 523 -0.991 -0.520 -3.793 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.502 -2.907 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -2.517 -2.488 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.703 -1.698 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -3.265 0.157 -5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.580 0.299 -6.284 1.00 0.00 H new ATOM 272 N GLY A 524 0.654 -0.452 -6.805 1.00 0.00 N ATOM 273 CA GLY A 524 1.443 -0.143 -7.979 1.00 0.00 C ATOM 274 C GLY A 524 1.226 1.277 -8.458 1.00 0.00 C ATOM 275 O GLY A 524 1.089 1.519 -9.657 1.00 0.00 O ATOM 0 H GLY A 524 0.526 0.326 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.499 -0.291 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.187 -0.837 -8.779 1.00 0.00 H new ATOM 279 N ALA A 525 1.186 2.217 -7.520 1.00 0.00 N ATOM 280 CA ALA A 525 0.971 3.619 -7.860 1.00 0.00 C ATOM 281 C ALA A 525 2.269 4.419 -7.816 1.00 0.00 C ATOM 282 O ALA A 525 2.679 5.007 -8.817 1.00 0.00 O ATOM 283 CB ALA A 525 -0.064 4.234 -6.932 1.00 0.00 C ATOM 0 H ALA A 525 1.299 2.035 -6.523 1.00 0.00 H new ATOM 0 HA ALA A 525 0.599 3.657 -8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -0.214 5.280 -7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -1.007 3.696 -7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 525 0.286 4.168 -5.902 1.00 0.00 H new ATOM 289 N ALA A 526 2.913 4.436 -6.656 1.00 0.00 N ATOM 290 CA ALA A 526 4.166 5.162 -6.490 1.00 0.00 C ATOM 291 C ALA A 526 5.192 4.276 -5.816 1.00 0.00 C ATOM 292 O ALA A 526 5.945 4.710 -4.945 1.00 0.00 O ATOM 293 CB ALA A 526 3.946 6.437 -5.690 1.00 0.00 C ATOM 0 H ALA A 526 2.589 3.956 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 526 4.541 5.443 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 526 4.893 6.964 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.235 7.077 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 526 3.552 6.185 -4.705 1.00 0.00 H new ATOM 299 N ILE A 527 5.188 3.019 -6.220 1.00 0.00 N ATOM 300 CA ILE A 527 6.087 2.030 -5.663 1.00 0.00 C ATOM 301 C ILE A 527 7.351 1.844 -6.501 1.00 0.00 C ATOM 302 O ILE A 527 8.215 1.039 -6.160 1.00 0.00 O ATOM 303 CB ILE A 527 5.352 0.690 -5.502 1.00 0.00 C ATOM 304 CG1 ILE A 527 4.713 0.244 -6.824 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.284 0.846 -4.436 1.00 0.00 C ATOM 306 CD1 ILE A 527 5.707 -0.034 -7.930 1.00 0.00 C ATOM 0 H ILE A 527 4.563 2.658 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 527 6.407 2.396 -4.687 1.00 0.00 H new ATOM 0 HB ILE A 527 6.070 -0.075 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.125 -0.656 -6.645 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.020 1.016 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 527 3.754 -0.098 -4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 527 4.751 1.128 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.579 1.621 -4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.174 -0.343 -8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.279 0.869 -8.140 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.385 -0.829 -7.619 1.00 0.00 H new ATOM 318 N GLY A 528 7.449 2.583 -7.601 1.00 0.00 N ATOM 319 CA GLY A 528 8.604 2.470 -8.474 1.00 0.00 C ATOM 320 C GLY A 528 9.923 2.806 -7.797 1.00 0.00 C ATOM 321 O GLY A 528 10.988 2.511 -8.339 1.00 0.00 O ATOM 0 H GLY A 528 6.748 3.259 -7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 528 8.655 1.453 -8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 528 8.467 3.132 -9.329 1.00 0.00 H new ATOM 325 N LEU A 529 9.869 3.432 -6.622 1.00 0.00 N ATOM 326 CA LEU A 529 11.091 3.802 -5.912 1.00 0.00 C ATOM 327 C LEU A 529 11.439 2.790 -4.823 1.00 0.00 C ATOM 328 O LEU A 529 12.612 2.548 -4.541 1.00 0.00 O ATOM 329 CB LEU A 529 10.944 5.195 -5.298 1.00 0.00 C ATOM 330 CG LEU A 529 9.584 5.483 -4.660 1.00 0.00 C ATOM 331 CD1 LEU A 529 9.747 6.362 -3.429 1.00 0.00 C ATOM 332 CD2 LEU A 529 8.652 6.142 -5.666 1.00 0.00 C ATOM 0 H LEU A 529 9.004 3.691 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 529 11.904 3.808 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 529 11.718 5.325 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 529 11.129 5.938 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 529 9.142 4.536 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 529 8.769 6.556 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 529 10.379 5.854 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 529 10.210 7.306 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 529 7.689 6.340 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 529 9.089 7.081 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 529 8.509 5.478 -6.519 1.00 0.00 H new ATOM 344 N ALA A 530 10.415 2.217 -4.204 1.00 0.00 N ATOM 345 CA ALA A 530 10.611 1.248 -3.131 1.00 0.00 C ATOM 346 C ALA A 530 10.370 -0.185 -3.584 1.00 0.00 C ATOM 347 O ALA A 530 10.458 -1.117 -2.785 1.00 0.00 O ATOM 348 CB ALA A 530 9.682 1.570 -1.987 1.00 0.00 C ATOM 0 H ALA A 530 9.438 2.406 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 530 11.652 1.321 -2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 530 9.828 0.846 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 530 9.896 2.572 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 530 8.649 1.525 -2.333 1.00 0.00 H new ATOM 354 N TRP A 531 10.056 -0.362 -4.858 1.00 0.00 N ATOM 355 CA TRP A 531 9.791 -1.687 -5.398 1.00 0.00 C ATOM 356 C TRP A 531 10.959 -2.643 -5.161 1.00 0.00 C ATOM 357 O TRP A 531 10.820 -3.853 -5.334 1.00 0.00 O ATOM 358 CB TRP A 531 9.485 -1.577 -6.884 1.00 0.00 C ATOM 359 CG TRP A 531 9.028 -2.864 -7.499 1.00 0.00 C ATOM 360 CD1 TRP A 531 9.740 -3.669 -8.342 1.00 0.00 C ATOM 361 CD2 TRP A 531 7.756 -3.495 -7.320 1.00 0.00 C ATOM 362 NE1 TRP A 531 8.987 -4.762 -8.697 1.00 0.00 N ATOM 363 CE2 TRP A 531 7.765 -4.679 -8.082 1.00 0.00 C ATOM 364 CE3 TRP A 531 6.610 -3.174 -6.587 1.00 0.00 C ATOM 365 CZ2 TRP A 531 6.673 -5.541 -8.132 1.00 0.00 C ATOM 366 CZ3 TRP A 531 5.526 -4.031 -6.638 1.00 0.00 C ATOM 367 CH2 TRP A 531 5.565 -5.202 -7.404 1.00 0.00 C ATOM 0 H TRP A 531 9.978 0.395 -5.537 1.00 0.00 H new ATOM 0 HA TRP A 531 8.928 -2.101 -4.876 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.716 -0.819 -7.033 1.00 0.00 H new ATOM 0 HB3 TRP A 531 10.378 -1.232 -7.406 1.00 0.00 H new ATOM 0 HD1 TRP A 531 10.747 -3.475 -8.680 1.00 0.00 H new ATOM 0 HE1 TRP A 531 9.288 -5.513 -9.318 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.572 -2.274 -5.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 6.699 -6.444 -8.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 4.634 -3.793 -6.077 1.00 0.00 H new ATOM 0 HH2 TRP A 531 4.702 -5.852 -7.421 1.00 0.00 H new ATOM 378 N ILE A 532 12.103 -2.101 -4.759 1.00 0.00 N ATOM 379 CA ILE A 532 13.275 -2.918 -4.498 1.00 0.00 C ATOM 380 C ILE A 532 13.871 -2.598 -3.128 1.00 0.00 C ATOM 381 O ILE A 532 14.901 -1.931 -3.025 1.00 0.00 O ATOM 382 CB ILE A 532 14.337 -2.711 -5.591 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.739 -1.235 -5.676 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.793 -3.194 -6.928 1.00 0.00 C ATOM 385 CD1 ILE A 532 16.149 -0.961 -5.202 1.00 0.00 C ATOM 0 H ILE A 532 12.241 -1.102 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 532 12.960 -3.961 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 532 15.226 -3.290 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.641 -0.900 -6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 532 14.044 -0.643 -5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.546 -3.047 -7.702 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.546 -4.253 -6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.897 -2.628 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.362 0.104 -5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.248 -1.265 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.854 -1.525 -5.813 1.00 0.00 H new ATOM 397 N PRO A 533 13.220 -3.071 -2.049 1.00 0.00 N ATOM 398 CA PRO A 533 13.672 -2.836 -0.675 1.00 0.00 C ATOM 399 C PRO A 533 15.153 -3.143 -0.478 1.00 0.00 C ATOM 400 O PRO A 533 15.526 -4.266 -0.137 1.00 0.00 O ATOM 401 CB PRO A 533 12.813 -3.793 0.170 1.00 0.00 C ATOM 402 CG PRO A 533 12.071 -4.651 -0.804 1.00 0.00 C ATOM 403 CD PRO A 533 11.986 -3.866 -2.080 1.00 0.00 C ATOM 0 HA PRO A 533 13.561 -1.788 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 533 13.436 -4.399 0.828 1.00 0.00 H new ATOM 0 HB3 PRO A 533 12.123 -3.239 0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 533 12.590 -5.596 -0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.076 -4.893 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 533 11.944 -4.516 -2.954 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.098 -3.235 -2.109 1.00 0.00 H new ATOM 411 N TYR A 534 15.991 -2.134 -0.687 1.00 0.00 N ATOM 412 CA TYR A 534 17.432 -2.291 -0.523 1.00 0.00 C ATOM 413 C TYR A 534 17.882 -1.823 0.862 1.00 0.00 C ATOM 414 O TYR A 534 19.008 -2.092 1.280 1.00 0.00 O ATOM 415 CB TYR A 534 18.177 -1.510 -1.608 1.00 0.00 C ATOM 416 CG TYR A 534 18.690 -2.379 -2.735 1.00 0.00 C ATOM 417 CD1 TYR A 534 17.889 -3.369 -3.293 1.00 0.00 C ATOM 418 CD2 TYR A 534 19.973 -2.211 -3.239 1.00 0.00 C ATOM 419 CE1 TYR A 534 18.354 -4.166 -4.321 1.00 0.00 C ATOM 420 CE2 TYR A 534 20.444 -3.004 -4.269 1.00 0.00 C ATOM 421 CZ TYR A 534 19.631 -3.979 -4.805 1.00 0.00 C ATOM 422 OH TYR A 534 20.098 -4.772 -5.830 1.00 0.00 O ATOM 0 H TYR A 534 15.698 -1.199 -0.970 1.00 0.00 H new ATOM 0 HA TYR A 534 17.669 -3.351 -0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 534 17.512 -0.751 -2.019 1.00 0.00 H new ATOM 0 HB3 TYR A 534 19.017 -0.985 -1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 534 16.888 -3.517 -2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 534 20.613 -1.449 -2.820 1.00 0.00 H new ATOM 0 HE1 TYR A 534 17.720 -4.932 -4.743 1.00 0.00 H new ATOM 0 HE2 TYR A 534 21.444 -2.860 -4.651 1.00 0.00 H new ATOM 0 HH TYR A 534 21.015 -4.510 -6.054 1.00 0.00 H new ATOM 432 N PHE A 535 17.000 -1.117 1.567 1.00 0.00 N ATOM 433 CA PHE A 535 17.315 -0.609 2.899 1.00 0.00 C ATOM 434 C PHE A 535 17.242 -1.717 3.946 1.00 0.00 C ATOM 435 O PHE A 535 18.014 -1.728 4.904 1.00 0.00 O ATOM 436 CB PHE A 535 16.356 0.522 3.272 1.00 0.00 C ATOM 437 CG PHE A 535 16.938 1.507 4.246 1.00 0.00 C ATOM 438 CD1 PHE A 535 18.044 2.269 3.902 1.00 0.00 C ATOM 439 CD2 PHE A 535 16.380 1.671 5.503 1.00 0.00 C ATOM 440 CE1 PHE A 535 18.582 3.175 4.796 1.00 0.00 C ATOM 441 CE2 PHE A 535 16.914 2.575 6.401 1.00 0.00 C ATOM 442 CZ PHE A 535 18.016 3.328 6.046 1.00 0.00 C ATOM 0 H PHE A 535 16.063 -0.884 1.238 1.00 0.00 H new ATOM 0 HA PHE A 535 18.335 -0.226 2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 535 16.061 1.051 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 535 15.450 0.093 3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 535 18.490 2.153 2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 535 15.517 1.085 5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 535 19.444 3.763 4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 535 16.471 2.693 7.379 1.00 0.00 H new ATOM 0 HZ PHE A 535 18.435 4.036 6.746 1.00 0.00 H new ATOM 452 N GLY A 536 16.311 -2.649 3.760 1.00 0.00 N ATOM 453 CA GLY A 536 16.165 -3.743 4.702 1.00 0.00 C ATOM 454 C GLY A 536 14.714 -4.118 4.953 1.00 0.00 C ATOM 455 O GLY A 536 14.358 -5.294 4.883 1.00 0.00 O ATOM 0 H GLY A 536 15.658 -2.666 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 536 16.700 -4.614 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 536 16.632 -3.467 5.647 1.00 0.00 H new ATOM 459 N PRO A 537 13.846 -3.135 5.250 1.00 0.00 N ATOM 460 CA PRO A 537 12.429 -3.384 5.510 1.00 0.00 C ATOM 461 C PRO A 537 11.651 -3.640 4.225 1.00 0.00 C ATOM 462 O PRO A 537 12.240 -3.835 3.162 1.00 0.00 O ATOM 463 CB PRO A 537 11.935 -2.090 6.180 1.00 0.00 C ATOM 464 CG PRO A 537 13.128 -1.192 6.303 1.00 0.00 C ATOM 465 CD PRO A 537 14.171 -1.710 5.354 1.00 0.00 C ATOM 0 HA PRO A 537 12.284 -4.271 6.126 1.00 0.00 H new ATOM 0 HB2 PRO A 537 11.154 -1.618 5.584 1.00 0.00 H new ATOM 0 HB3 PRO A 537 11.505 -2.300 7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 537 12.862 -0.163 6.059 1.00 0.00 H new ATOM 0 HG3 PRO A 537 13.505 -1.190 7.326 1.00 0.00 H new ATOM 0 HD2 PRO A 537 14.118 -1.213 4.386 1.00 0.00 H new ATOM 0 HD3 PRO A 537 15.179 -1.553 5.738 1.00 0.00 H new ATOM 473 N ALA A 538 10.325 -3.632 4.325 1.00 0.00 N ATOM 474 CA ALA A 538 9.476 -3.854 3.162 1.00 0.00 C ATOM 475 C ALA A 538 9.800 -2.848 2.067 1.00 0.00 C ATOM 476 O ALA A 538 9.979 -3.216 0.907 1.00 0.00 O ATOM 477 CB ALA A 538 8.007 -3.764 3.546 1.00 0.00 C ATOM 0 H ALA A 538 9.818 -3.475 5.196 1.00 0.00 H new ATOM 0 HA ALA A 538 9.672 -4.857 2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 538 7.389 -3.933 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 538 7.780 -4.520 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 538 7.797 -2.775 3.952 1.00 0.00 H new ATOM 483 N ALA A 539 9.888 -1.576 2.453 1.00 0.00 N ATOM 484 CA ALA A 539 10.207 -0.497 1.516 1.00 0.00 C ATOM 485 C ALA A 539 9.089 -0.264 0.516 1.00 0.00 C ATOM 486 O ALA A 539 8.538 0.830 0.416 1.00 0.00 O ATOM 487 CB ALA A 539 11.480 -0.815 0.763 1.00 0.00 C ATOM 0 H ALA A 539 9.742 -1.265 3.413 1.00 0.00 H new ATOM 0 HA ALA A 539 10.336 0.410 2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.705 -0.004 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 539 12.302 -0.927 1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.351 -1.743 0.206 1.00 0.00 H new ATOM 493 N GLU A 540 8.787 -1.309 -0.233 1.00 0.00 N ATOM 494 CA GLU A 540 7.756 -1.279 -1.263 1.00 0.00 C ATOM 495 C GLU A 540 6.545 -0.436 -0.849 1.00 0.00 C ATOM 496 O GLU A 540 5.862 0.132 -1.700 1.00 0.00 O ATOM 497 CB GLU A 540 7.328 -2.710 -1.568 1.00 0.00 C ATOM 498 CG GLU A 540 8.213 -3.405 -2.593 1.00 0.00 C ATOM 499 CD GLU A 540 7.422 -4.068 -3.705 1.00 0.00 C ATOM 500 OE1 GLU A 540 6.179 -4.132 -3.596 1.00 0.00 O ATOM 501 OE2 GLU A 540 8.046 -4.523 -4.686 1.00 0.00 O ATOM 0 H GLU A 540 9.253 -2.212 -0.145 1.00 0.00 H new ATOM 0 HA GLU A 540 8.173 -0.810 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.335 -3.287 -0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.301 -2.703 -1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 540 8.899 -2.677 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 540 8.822 -4.156 -2.090 1.00 0.00 H new ATOM 508 N GLY A 541 6.284 -0.356 0.454 1.00 0.00 N ATOM 509 CA GLY A 541 5.157 0.425 0.933 1.00 0.00 C ATOM 510 C GLY A 541 5.557 1.522 1.907 1.00 0.00 C ATOM 511 O GLY A 541 4.865 2.531 2.029 1.00 0.00 O ATOM 0 H GLY A 541 6.830 -0.816 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.646 0.874 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.443 -0.240 1.419 1.00 0.00 H new ATOM 515 N ILE A 542 6.669 1.325 2.611 1.00 0.00 N ATOM 516 CA ILE A 542 7.135 2.312 3.586 1.00 0.00 C ATOM 517 C ILE A 542 8.182 3.258 2.998 1.00 0.00 C ATOM 518 O ILE A 542 8.386 4.357 3.515 1.00 0.00 O ATOM 519 CB ILE A 542 7.701 1.648 4.861 1.00 0.00 C ATOM 520 CG1 ILE A 542 8.672 0.517 4.515 1.00 0.00 C ATOM 521 CG2 ILE A 542 6.568 1.125 5.730 1.00 0.00 C ATOM 522 CD1 ILE A 542 10.091 0.985 4.283 1.00 0.00 C ATOM 0 H ILE A 542 7.261 0.499 2.527 1.00 0.00 H new ATOM 0 HA ILE A 542 6.255 2.895 3.857 1.00 0.00 H new ATOM 0 HB ILE A 542 8.254 2.405 5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 542 8.667 -0.214 5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.316 0.006 3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 542 6.981 0.660 6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 542 5.919 1.952 6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 542 5.991 0.388 5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 542 10.722 0.129 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 542 10.110 1.693 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 542 10.466 1.470 5.184 1.00 0.00 H new ATOM 534 N TYR A 543 8.830 2.847 1.911 1.00 0.00 N ATOM 535 CA TYR A 543 9.831 3.689 1.262 1.00 0.00 C ATOM 536 C TYR A 543 9.288 4.227 -0.057 1.00 0.00 C ATOM 537 O TYR A 543 9.879 5.114 -0.674 1.00 0.00 O ATOM 538 CB TYR A 543 11.125 2.907 1.016 1.00 0.00 C ATOM 539 CG TYR A 543 12.294 3.398 1.838 1.00 0.00 C ATOM 540 CD1 TYR A 543 12.175 3.583 3.210 1.00 0.00 C ATOM 541 CD2 TYR A 543 13.518 3.677 1.243 1.00 0.00 C ATOM 542 CE1 TYR A 543 13.241 4.032 3.965 1.00 0.00 C ATOM 543 CE2 TYR A 543 14.589 4.125 1.991 1.00 0.00 C ATOM 544 CZ TYR A 543 14.446 4.302 3.351 1.00 0.00 C ATOM 545 OH TYR A 543 15.511 4.750 4.100 1.00 0.00 O ATOM 0 H TYR A 543 8.681 1.942 1.464 1.00 0.00 H new ATOM 0 HA TYR A 543 10.055 4.525 1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 543 10.951 1.854 1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 543 11.383 2.971 -0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 543 11.233 3.372 3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 543 13.634 3.541 0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 543 13.131 4.171 5.030 1.00 0.00 H new ATOM 0 HE2 TYR A 543 15.534 4.336 1.513 1.00 0.00 H new ATOM 0 HH TYR A 543 15.866 4.012 4.639 1.00 0.00 H new ATOM 555 N ALA A 544 8.151 3.680 -0.476 1.00 0.00 N ATOM 556 CA ALA A 544 7.504 4.086 -1.705 1.00 0.00 C ATOM 557 C ALA A 544 6.316 4.978 -1.390 1.00 0.00 C ATOM 558 O ALA A 544 6.039 5.949 -2.095 1.00 0.00 O ATOM 559 CB ALA A 544 7.054 2.854 -2.465 1.00 0.00 C ATOM 0 H ALA A 544 7.658 2.945 0.031 1.00 0.00 H new ATOM 0 HA ALA A 544 8.206 4.648 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.566 3.156 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 544 7.919 2.233 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.353 2.286 -1.854 1.00 0.00 H new ATOM 565 N GLU A 545 5.614 4.626 -0.318 1.00 0.00 N ATOM 566 CA GLU A 545 4.443 5.377 0.111 1.00 0.00 C ATOM 567 C GLU A 545 4.631 5.954 1.513 1.00 0.00 C ATOM 568 O GLU A 545 4.123 7.031 1.824 1.00 0.00 O ATOM 569 CB GLU A 545 3.227 4.456 0.095 1.00 0.00 C ATOM 570 CG GLU A 545 1.990 5.075 0.723 1.00 0.00 C ATOM 571 CD GLU A 545 1.467 6.254 -0.074 1.00 0.00 C ATOM 572 OE1 GLU A 545 2.148 7.301 -0.100 1.00 0.00 O ATOM 573 OE2 GLU A 545 0.380 6.130 -0.676 1.00 0.00 O ATOM 0 H GLU A 545 5.838 3.823 0.270 1.00 0.00 H new ATOM 0 HA GLU A 545 4.297 6.210 -0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 545 3.003 4.181 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.472 3.535 0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 545 1.209 4.319 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 545 2.224 5.400 1.737 1.00 0.00 H new ATOM 580 N GLY A 546 5.365 5.226 2.349 1.00 0.00 N ATOM 581 CA GLY A 546 5.623 5.659 3.714 1.00 0.00 C ATOM 582 C GLY A 546 4.438 6.345 4.375 1.00 0.00 C ATOM 583 O GLY A 546 4.591 7.423 4.952 1.00 0.00 O ATOM 0 H GLY A 546 5.791 4.333 2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.910 4.794 4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.473 6.342 3.714 1.00 0.00 H new ATOM 587 N LEU A 547 3.253 5.732 4.307 1.00 0.00 N ATOM 588 CA LEU A 547 2.069 6.325 4.925 1.00 0.00 C ATOM 589 C LEU A 547 0.818 5.469 4.705 1.00 0.00 C ATOM 590 O LEU A 547 0.201 5.004 5.663 1.00 0.00 O ATOM 591 CB LEU A 547 1.881 7.766 4.410 1.00 0.00 C ATOM 592 CG LEU A 547 0.539 8.104 3.738 1.00 0.00 C ATOM 593 CD1 LEU A 547 0.062 9.483 4.170 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.676 8.040 2.223 1.00 0.00 C ATOM 0 H LEU A 547 3.091 4.841 3.838 1.00 0.00 H new ATOM 0 HA LEU A 547 2.223 6.361 6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 547 2.018 8.446 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.678 7.976 3.697 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.202 7.368 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -0.889 9.707 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.069 9.500 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.801 10.230 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.281 8.281 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.429 8.757 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.979 7.036 1.927 1.00 0.00 H new ATOM 606 N MET A 548 0.448 5.269 3.447 1.00 0.00 N ATOM 607 CA MET A 548 -0.730 4.474 3.109 1.00 0.00 C ATOM 608 C MET A 548 -0.396 2.988 3.016 1.00 0.00 C ATOM 609 O MET A 548 -1.204 2.192 2.541 1.00 0.00 O ATOM 610 CB MET A 548 -1.342 4.950 1.791 1.00 0.00 C ATOM 611 CG MET A 548 -2.452 5.976 1.969 1.00 0.00 C ATOM 612 SD MET A 548 -2.264 7.410 0.892 1.00 0.00 S ATOM 613 CE MET A 548 -3.972 7.911 0.696 1.00 0.00 C ATOM 0 H MET A 548 0.946 5.646 2.641 1.00 0.00 H new ATOM 0 HA MET A 548 -1.455 4.611 3.911 1.00 0.00 H new ATOM 0 HB2 MET A 548 -0.557 5.381 1.170 1.00 0.00 H new ATOM 0 HB3 MET A 548 -1.738 4.089 1.252 1.00 0.00 H new ATOM 0 HG2 MET A 548 -3.413 5.502 1.769 1.00 0.00 H new ATOM 0 HG3 MET A 548 -2.470 6.308 3.007 1.00 0.00 H new ATOM 0 HE1 MET A 548 -4.022 8.790 0.053 1.00 0.00 H new ATOM 0 HE2 MET A 548 -4.540 7.098 0.244 1.00 0.00 H new ATOM 0 HE3 MET A 548 -4.395 8.151 1.671 1.00 0.00 H new ATOM 623 N HIS A 549 0.789 2.612 3.474 1.00 0.00 N ATOM 624 CA HIS A 549 1.190 1.217 3.443 1.00 0.00 C ATOM 625 C HIS A 549 0.344 0.398 4.415 1.00 0.00 C ATOM 626 O HIS A 549 0.386 -0.831 4.408 1.00 0.00 O ATOM 627 CB HIS A 549 2.682 1.079 3.774 1.00 0.00 C ATOM 628 CG HIS A 549 3.110 -0.319 4.107 1.00 0.00 C ATOM 629 ND1 HIS A 549 3.205 -1.324 3.167 1.00 0.00 N ATOM 630 CD2 HIS A 549 3.471 -0.877 5.286 1.00 0.00 C ATOM 631 CE1 HIS A 549 3.605 -2.438 3.753 1.00 0.00 C ATOM 632 NE2 HIS A 549 3.775 -2.194 5.039 1.00 0.00 N ATOM 0 H HIS A 549 1.483 3.248 3.868 1.00 0.00 H new ATOM 0 HA HIS A 549 1.026 0.832 2.437 1.00 0.00 H new ATOM 0 HB2 HIS A 549 3.266 1.433 2.924 1.00 0.00 H new ATOM 0 HB3 HIS A 549 2.918 1.730 4.616 1.00 0.00 H new ATOM 0 HD1 HIS A 549 2.998 -1.223 2.173 1.00 0.00 H new ATOM 0 HD2 HIS A 549 3.512 -0.379 6.244 1.00 0.00 H new ATOM 0 HE1 HIS A 549 3.766 -3.387 3.263 1.00 0.00 H new ATOM 641 N ASN A 550 -0.417 1.083 5.258 1.00 0.00 N ATOM 642 CA ASN A 550 -1.260 0.407 6.229 1.00 0.00 C ATOM 643 C ASN A 550 -2.668 0.190 5.679 1.00 0.00 C ATOM 644 O ASN A 550 -3.368 -0.734 6.094 1.00 0.00 O ATOM 645 CB ASN A 550 -1.318 1.220 7.522 1.00 0.00 C ATOM 646 CG ASN A 550 -2.207 0.585 8.574 1.00 0.00 C ATOM 647 OD1 ASN A 550 -2.591 -0.578 8.459 1.00 0.00 O ATOM 648 ND2 ASN A 550 -2.538 1.349 9.609 1.00 0.00 N ATOM 0 H ASN A 550 -0.467 2.101 5.288 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.826 -0.571 6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -0.310 1.330 7.922 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.684 2.222 7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -3.133 0.976 10.349 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -2.197 2.309 9.664 1.00 0.00 H new ATOM 655 N GLN A 551 -3.072 1.041 4.745 1.00 0.00 N ATOM 656 CA GLN A 551 -4.395 0.939 4.133 1.00 0.00 C ATOM 657 C GLN A 551 -4.491 -0.334 3.301 1.00 0.00 C ATOM 658 O GLN A 551 -4.526 -0.292 2.071 1.00 0.00 O ATOM 659 CB GLN A 551 -4.700 2.162 3.255 1.00 0.00 C ATOM 660 CG GLN A 551 -3.840 3.374 3.561 1.00 0.00 C ATOM 661 CD GLN A 551 -4.038 3.891 4.972 1.00 0.00 C ATOM 662 OE1 GLN A 551 -5.131 4.321 5.341 1.00 0.00 O ATOM 663 NE2 GLN A 551 -2.978 3.854 5.771 1.00 0.00 N ATOM 0 H GLN A 551 -2.504 1.811 4.393 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.133 0.904 4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.564 1.888 2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.748 2.433 3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -2.791 3.116 3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -4.073 4.168 2.852 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -2.091 3.489 5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.051 4.190 6.731 1.00 0.00 H new ATOM 672 N ASP A 552 -4.522 -1.466 3.988 1.00 0.00 N ATOM 673 CA ASP A 552 -4.601 -2.766 3.331 1.00 0.00 C ATOM 674 C ASP A 552 -6.045 -3.196 3.106 1.00 0.00 C ATOM 675 O ASP A 552 -6.324 -4.382 2.947 1.00 0.00 O ATOM 676 CB ASP A 552 -3.875 -3.823 4.165 1.00 0.00 C ATOM 677 CG ASP A 552 -4.303 -3.808 5.619 1.00 0.00 C ATOM 678 OD1 ASP A 552 -5.349 -4.413 5.936 1.00 0.00 O ATOM 679 OD2 ASP A 552 -3.593 -3.191 6.441 1.00 0.00 O ATOM 0 H ASP A 552 -4.494 -1.512 5.007 1.00 0.00 H new ATOM 0 HA ASP A 552 -4.120 -2.672 2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -4.067 -4.809 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -2.800 -3.654 4.104 1.00 0.00 H new ATOM 684 N GLY A 553 -6.960 -2.233 3.098 1.00 0.00 N ATOM 685 CA GLY A 553 -8.363 -2.541 2.900 1.00 0.00 C ATOM 686 C GLY A 553 -9.211 -2.028 4.040 1.00 0.00 C ATOM 687 O GLY A 553 -10.359 -1.625 3.846 1.00 0.00 O ATOM 0 H GLY A 553 -6.754 -1.242 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -8.705 -2.099 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.490 -3.620 2.808 1.00 0.00 H new ATOM 691 N LEU A 554 -8.630 -2.031 5.235 1.00 0.00 N ATOM 692 CA LEU A 554 -9.313 -1.551 6.430 1.00 0.00 C ATOM 693 C LEU A 554 -9.873 -0.159 6.195 1.00 0.00 C ATOM 694 O LEU A 554 -11.073 0.081 6.322 1.00 0.00 O ATOM 695 CB LEU A 554 -8.332 -1.495 7.595 1.00 0.00 C ATOM 696 CG LEU A 554 -7.476 -2.750 7.789 1.00 0.00 C ATOM 697 CD1 LEU A 554 -5.999 -2.389 7.858 1.00 0.00 C ATOM 698 CD2 LEU A 554 -7.901 -3.498 9.045 1.00 0.00 C ATOM 0 H LEU A 554 -7.680 -2.363 5.402 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.129 -2.236 6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.669 -0.642 7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.892 -1.312 8.512 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.629 -3.403 6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.409 -3.295 7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.700 -1.899 6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.828 -1.714 8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -7.282 -4.387 9.166 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -7.780 -2.850 9.913 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.946 -3.794 8.956 1.00 0.00 H new ATOM 710 N ILE A 555 -8.975 0.750 5.852 1.00 0.00 N ATOM 711 CA ILE A 555 -9.322 2.130 5.590 1.00 0.00 C ATOM 712 C ILE A 555 -10.060 2.264 4.261 1.00 0.00 C ATOM 713 O ILE A 555 -9.600 2.945 3.343 1.00 0.00 O ATOM 714 CB ILE A 555 -8.044 2.983 5.563 1.00 0.00 C ATOM 715 CG1 ILE A 555 -7.270 2.858 6.883 1.00 0.00 C ATOM 716 CG2 ILE A 555 -8.366 4.439 5.263 1.00 0.00 C ATOM 717 CD1 ILE A 555 -8.149 2.632 8.097 1.00 0.00 C ATOM 0 H ILE A 555 -7.981 0.546 5.748 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.982 2.479 6.384 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.409 2.605 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.563 2.032 6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.684 3.765 7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.444 5.020 5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.854 4.511 4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.031 4.831 6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -7.526 2.555 8.988 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.838 3.469 8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.716 1.710 7.969 1.00 0.00 H new ATOM 729 N CYS A 556 -11.207 1.606 4.167 1.00 0.00 N ATOM 730 CA CYS A 556 -12.018 1.642 2.957 1.00 0.00 C ATOM 731 C CYS A 556 -12.780 2.962 2.836 1.00 0.00 C ATOM 732 O CYS A 556 -13.408 3.233 1.813 1.00 0.00 O ATOM 733 CB CYS A 556 -13.002 0.470 2.946 1.00 0.00 C ATOM 734 SG CYS A 556 -13.619 0.027 1.288 1.00 0.00 S ATOM 0 H CYS A 556 -11.599 1.038 4.918 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.346 1.558 2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.517 -0.401 3.385 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.851 0.717 3.583 1.00 0.00 H new ATOM 739 N GLY A 557 -12.725 3.779 3.886 1.00 0.00 N ATOM 740 CA GLY A 557 -13.418 5.055 3.868 1.00 0.00 C ATOM 741 C GLY A 557 -12.735 6.089 2.991 1.00 0.00 C ATOM 742 O GLY A 557 -13.255 7.190 2.806 1.00 0.00 O ATOM 0 H GLY A 557 -12.214 3.580 4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -14.438 4.903 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -13.487 5.439 4.886 1.00 0.00 H new ATOM 746 N LEU A 558 -11.567 5.744 2.453 1.00 0.00 N ATOM 747 CA LEU A 558 -10.822 6.660 1.597 1.00 0.00 C ATOM 748 C LEU A 558 -11.648 7.074 0.385 1.00 0.00 C ATOM 749 O LEU A 558 -11.733 8.257 0.052 1.00 0.00 O ATOM 750 CB LEU A 558 -9.512 6.016 1.140 1.00 0.00 C ATOM 751 CG LEU A 558 -9.654 4.620 0.528 1.00 0.00 C ATOM 752 CD1 LEU A 558 -9.741 4.706 -0.989 1.00 0.00 C ATOM 753 CD2 LEU A 558 -8.491 3.731 0.950 1.00 0.00 C ATOM 0 H LEU A 558 -11.118 4.839 2.595 1.00 0.00 H new ATOM 0 HA LEU A 558 -10.596 7.553 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -9.039 6.671 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -8.838 5.954 1.994 1.00 0.00 H new ATOM 0 HG LEU A 558 -10.578 4.175 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -9.841 3.704 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -10.608 5.304 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -8.836 5.172 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -8.609 2.743 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -7.554 4.172 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -8.477 3.641 2.036 1.00 0.00 H new ATOM 765 N ARG A 559 -12.260 6.093 -0.267 1.00 0.00 N ATOM 766 CA ARG A 559 -13.085 6.353 -1.442 1.00 0.00 C ATOM 767 C ARG A 559 -12.255 6.922 -2.583 1.00 0.00 C ATOM 768 O ARG A 559 -11.086 7.267 -2.407 1.00 0.00 O ATOM 769 CB ARG A 559 -14.214 7.328 -1.099 1.00 0.00 C ATOM 770 CG ARG A 559 -14.993 6.976 0.163 1.00 0.00 C ATOM 771 CD ARG A 559 -14.992 5.479 0.431 1.00 0.00 C ATOM 772 NE ARG A 559 -16.088 5.076 1.311 1.00 0.00 N ATOM 773 CZ ARG A 559 -17.230 4.536 0.886 1.00 0.00 C ATOM 774 NH1 ARG A 559 -17.449 4.344 -0.410 1.00 0.00 N ATOM 775 NH2 ARG A 559 -18.162 4.188 1.764 1.00 0.00 N ATOM 0 H ARG A 559 -12.201 5.110 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 559 -13.511 5.402 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -13.792 8.326 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -14.908 7.370 -1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -14.558 7.498 1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -16.020 7.327 0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -15.071 4.942 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -14.042 5.193 0.882 1.00 0.00 H new ATOM 0 HE ARG A 559 -15.971 5.217 2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -16.739 4.611 -1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -18.327 3.930 -0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -18.003 4.334 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -19.037 3.775 1.442 1.00 0.00 H new ATOM 789 N GLN A 560 -12.874 7.024 -3.753 1.00 0.00 N ATOM 790 CA GLN A 560 -12.211 7.560 -4.935 1.00 0.00 C ATOM 791 C GLN A 560 -10.832 6.937 -5.128 1.00 0.00 C ATOM 792 O GLN A 560 -10.577 5.868 -4.532 1.00 0.00 O ATOM 793 CB GLN A 560 -12.092 9.080 -4.826 1.00 0.00 C ATOM 794 CG GLN A 560 -13.428 9.780 -4.639 1.00 0.00 C ATOM 795 CD GLN A 560 -13.700 10.145 -3.194 1.00 0.00 C ATOM 796 OE1 GLN A 560 -12.972 10.933 -2.592 1.00 0.00 O ATOM 797 NE2 GLN A 560 -14.755 9.568 -2.628 1.00 0.00 N ATOM 798 OXT GLN A 560 -10.017 7.522 -5.873 1.00 0.00 O ATOM 0 H GLN A 560 -13.841 6.740 -3.909 1.00 0.00 H new ATOM 0 HA GLN A 560 -12.818 7.309 -5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -11.441 9.326 -3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -11.612 9.465 -5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.448 10.684 -5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.226 9.133 -5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -15.331 8.920 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -14.988 9.773 -1.656 1.00 0.00 H new TER 807 GLN A 560