USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=6 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 Single : A 508 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 510 LYS NZ :NH3+ -111:sc= -3.5 (180deg=-12.5!) USER MOD Single : A 512 ASN : amide:sc= -0.0184 X(o=-0.018,f=-0.19) USER MOD Single : A 514 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot -62:sc= -1.09! USER MOD Single : A 520 THR OG1 : rot 31:sc= -0.0987 USER MOD Single : A 521 GLN : amide:sc= -2.19 K(o=-2.2,f=-0.72) USER MOD Single : A 534 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 180:sc= 0 USER MOD Single : A 548 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 549 HIS : no HD1:sc= -0.794 K(o=-0.79,f=-3.4) USER MOD Single : A 550 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 551 GLN : amide:sc= -6.81 K(o=-6.8,f=-10!) USER MOD Single : A 560 GLN : amide:sc= -2.37 K(o=-2.4,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -17.964 5.837 -7.067 1.00 0.00 N ATOM 2 CA ALA A 507 -16.855 5.653 -6.096 1.00 0.00 C ATOM 3 C ALA A 507 -16.368 4.211 -6.083 1.00 0.00 C ATOM 4 O ALA A 507 -17.168 3.276 -6.050 1.00 0.00 O ATOM 5 CB ALA A 507 -17.301 6.055 -4.700 1.00 0.00 C ATOM 0 HA ALA A 507 -16.030 6.293 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -16.477 5.914 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -17.601 7.103 -4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -18.145 5.436 -4.396 1.00 0.00 H new ATOM 13 N GLN A 508 -15.053 4.036 -6.097 1.00 0.00 N ATOM 14 CA GLN A 508 -14.468 2.704 -6.072 1.00 0.00 C ATOM 15 C GLN A 508 -13.424 2.595 -4.965 1.00 0.00 C ATOM 16 O GLN A 508 -12.222 2.645 -5.225 1.00 0.00 O ATOM 17 CB GLN A 508 -13.838 2.371 -7.426 1.00 0.00 C ATOM 18 CG GLN A 508 -14.789 1.670 -8.383 1.00 0.00 C ATOM 19 CD GLN A 508 -14.080 1.098 -9.594 1.00 0.00 C ATOM 20 OE1 GLN A 508 -13.890 1.784 -10.598 1.00 0.00 O ATOM 21 NE2 GLN A 508 -13.682 -0.166 -9.505 1.00 0.00 N ATOM 0 H GLN A 508 -14.374 4.797 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 508 -15.263 1.986 -5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -13.483 3.292 -7.889 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -12.965 1.738 -7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -15.304 0.867 -7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -15.552 2.375 -8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -13.860 -0.698 -8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -13.198 -0.605 -10.288 1.00 0.00 H new ATOM 30 N PRO A 509 -13.875 2.450 -3.707 1.00 0.00 N ATOM 31 CA PRO A 509 -12.984 2.340 -2.557 1.00 0.00 C ATOM 32 C PRO A 509 -12.513 0.912 -2.311 1.00 0.00 C ATOM 33 O PRO A 509 -12.800 0.331 -1.265 1.00 0.00 O ATOM 34 CB PRO A 509 -13.869 2.817 -1.411 1.00 0.00 C ATOM 35 CG PRO A 509 -15.244 2.383 -1.796 1.00 0.00 C ATOM 36 CD PRO A 509 -15.294 2.392 -3.305 1.00 0.00 C ATOM 0 HA PRO A 509 -12.065 2.912 -2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.564 2.374 -0.463 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -13.813 3.899 -1.290 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -15.459 1.388 -1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -15.993 3.056 -1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -15.783 1.499 -3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -15.851 3.250 -3.681 1.00 0.00 H new ATOM 44 N LYS A 510 -11.774 0.364 -3.282 1.00 0.00 N ATOM 45 CA LYS A 510 -11.227 -1.000 -3.201 1.00 0.00 C ATOM 46 C LYS A 510 -12.026 -1.891 -2.253 1.00 0.00 C ATOM 47 O LYS A 510 -12.963 -2.577 -2.663 1.00 0.00 O ATOM 48 CB LYS A 510 -9.751 -0.959 -2.776 1.00 0.00 C ATOM 49 CG LYS A 510 -9.409 0.204 -1.856 1.00 0.00 C ATOM 50 CD LYS A 510 -8.695 -0.258 -0.596 1.00 0.00 C ATOM 51 CE LYS A 510 -9.331 0.351 0.644 1.00 0.00 C ATOM 52 NZ LYS A 510 -10.210 -0.618 1.358 1.00 0.00 N ATOM 0 H LYS A 510 -11.537 0.851 -4.146 1.00 0.00 H new ATOM 0 HA LYS A 510 -11.305 -1.437 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -9.501 -1.893 -2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -9.127 -0.900 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -8.779 0.915 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -10.323 0.731 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -8.731 -1.345 -0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -7.643 0.024 -0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -8.548 0.696 1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -9.914 1.227 0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -11.202 -0.322 1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -10.090 -1.565 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -9.952 -0.644 2.365 1.00 0.00 H new ATOM 66 N CYS A 511 -11.646 -1.864 -0.987 1.00 0.00 N ATOM 67 CA CYS A 511 -12.310 -2.650 0.046 1.00 0.00 C ATOM 68 C CYS A 511 -11.920 -4.122 -0.052 1.00 0.00 C ATOM 69 O CYS A 511 -12.762 -4.993 -0.272 1.00 0.00 O ATOM 70 CB CYS A 511 -13.827 -2.477 -0.052 1.00 0.00 C ATOM 71 SG CYS A 511 -14.593 -1.805 1.459 1.00 0.00 S ATOM 0 H CYS A 511 -10.870 -1.298 -0.644 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.983 -2.286 1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -14.054 -1.815 -0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -14.279 -3.443 -0.278 1.00 0.00 H new ATOM 76 N ASN A 512 -10.631 -4.382 0.127 1.00 0.00 N ATOM 77 CA ASN A 512 -10.100 -5.737 0.078 1.00 0.00 C ATOM 78 C ASN A 512 -9.041 -5.924 1.161 1.00 0.00 C ATOM 79 O ASN A 512 -7.845 -5.788 0.902 1.00 0.00 O ATOM 80 CB ASN A 512 -9.501 -6.026 -1.301 1.00 0.00 C ATOM 81 CG ASN A 512 -10.400 -6.906 -2.149 1.00 0.00 C ATOM 82 OD1 ASN A 512 -10.838 -7.969 -1.711 1.00 0.00 O ATOM 83 ND2 ASN A 512 -10.679 -6.465 -3.370 1.00 0.00 N ATOM 0 H ASN A 512 -9.929 -3.665 0.309 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.915 -6.438 0.256 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -9.323 -5.085 -1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -8.533 -6.511 -1.179 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -11.279 -7.014 -3.986 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -10.294 -5.577 -3.692 1.00 0.00 H new ATOM 90 N PRO A 513 -9.472 -6.225 2.399 1.00 0.00 N ATOM 91 CA PRO A 513 -8.564 -6.416 3.535 1.00 0.00 C ATOM 92 C PRO A 513 -7.854 -7.770 3.519 1.00 0.00 C ATOM 93 O PRO A 513 -7.389 -8.246 4.555 1.00 0.00 O ATOM 94 CB PRO A 513 -9.494 -6.313 4.743 1.00 0.00 C ATOM 95 CG PRO A 513 -10.818 -6.779 4.242 1.00 0.00 C ATOM 96 CD PRO A 513 -10.885 -6.389 2.788 1.00 0.00 C ATOM 0 HA PRO A 513 -7.754 -5.686 3.529 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -9.142 -6.933 5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.549 -5.290 5.114 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.920 -7.858 4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -11.630 -6.319 4.805 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -11.377 -7.157 2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -11.448 -5.466 2.647 1.00 0.00 H new ATOM 104 N ASN A 514 -7.768 -8.384 2.343 1.00 0.00 N ATOM 105 CA ASN A 514 -7.110 -9.677 2.199 1.00 0.00 C ATOM 106 C ASN A 514 -5.667 -9.499 1.727 1.00 0.00 C ATOM 107 O ASN A 514 -4.748 -10.114 2.269 1.00 0.00 O ATOM 108 CB ASN A 514 -7.892 -10.555 1.217 1.00 0.00 C ATOM 109 CG ASN A 514 -7.144 -11.817 0.829 1.00 0.00 C ATOM 110 OD1 ASN A 514 -6.856 -12.666 1.673 1.00 0.00 O ATOM 111 ND2 ASN A 514 -6.825 -11.945 -0.454 1.00 0.00 N ATOM 0 H ASN A 514 -8.147 -8.006 1.475 1.00 0.00 H new ATOM 0 HA ASN A 514 -7.090 -10.169 3.172 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.848 -10.828 1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.113 -9.979 0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -6.321 -12.772 -0.774 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -7.084 -11.216 -1.119 1.00 0.00 H new ATOM 118 N LEU A 515 -5.476 -8.655 0.718 1.00 0.00 N ATOM 119 CA LEU A 515 -4.144 -8.400 0.177 1.00 0.00 C ATOM 120 C LEU A 515 -3.315 -7.565 1.149 1.00 0.00 C ATOM 121 O LEU A 515 -3.116 -6.368 0.944 1.00 0.00 O ATOM 122 CB LEU A 515 -4.245 -7.686 -1.173 1.00 0.00 C ATOM 123 CG LEU A 515 -5.201 -6.489 -1.205 1.00 0.00 C ATOM 124 CD1 LEU A 515 -4.443 -5.205 -1.508 1.00 0.00 C ATOM 125 CD2 LEU A 515 -6.304 -6.713 -2.229 1.00 0.00 C ATOM 0 H LEU A 515 -6.225 -8.137 0.259 1.00 0.00 H new ATOM 0 HA LEU A 515 -3.647 -9.359 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.251 -7.345 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -4.565 -8.407 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.660 -6.391 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -5.140 -4.367 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.692 -5.035 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.954 -5.292 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -6.973 -5.852 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -5.863 -6.839 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -6.868 -7.608 -1.967 1.00 0.00 H new ATOM 137 N HIS A 516 -2.839 -8.207 2.210 1.00 0.00 N ATOM 138 CA HIS A 516 -2.034 -7.530 3.223 1.00 0.00 C ATOM 139 C HIS A 516 -0.620 -7.232 2.719 1.00 0.00 C ATOM 140 O HIS A 516 0.153 -6.555 3.396 1.00 0.00 O ATOM 141 CB HIS A 516 -1.965 -8.381 4.494 1.00 0.00 C ATOM 142 CG HIS A 516 -2.719 -7.793 5.647 1.00 0.00 C ATOM 143 ND1 HIS A 516 -4.050 -7.439 5.575 1.00 0.00 N ATOM 144 CD2 HIS A 516 -2.321 -7.499 6.907 1.00 0.00 C ATOM 145 CE1 HIS A 516 -4.438 -6.952 6.740 1.00 0.00 C ATOM 146 NE2 HIS A 516 -3.408 -6.978 7.566 1.00 0.00 N ATOM 0 H HIS A 516 -2.997 -9.198 2.392 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.516 -6.578 3.446 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -2.361 -9.374 4.279 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -0.921 -8.509 4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -1.333 -7.647 7.318 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -5.429 -6.594 6.977 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -3.418 -6.662 8.536 1.00 0.00 H new ATOM 155 N TYR A 517 -0.280 -7.746 1.540 1.00 0.00 N ATOM 156 CA TYR A 517 1.048 -7.532 0.973 1.00 0.00 C ATOM 157 C TYR A 517 1.105 -6.258 0.133 1.00 0.00 C ATOM 158 O TYR A 517 2.019 -5.447 0.282 1.00 0.00 O ATOM 159 CB TYR A 517 1.456 -8.734 0.121 1.00 0.00 C ATOM 160 CG TYR A 517 1.952 -9.906 0.935 1.00 0.00 C ATOM 161 CD1 TYR A 517 1.074 -10.669 1.692 1.00 0.00 C ATOM 162 CD2 TYR A 517 3.298 -10.247 0.949 1.00 0.00 C ATOM 163 CE1 TYR A 517 1.522 -11.740 2.440 1.00 0.00 C ATOM 164 CE2 TYR A 517 3.755 -11.316 1.695 1.00 0.00 C ATOM 165 CZ TYR A 517 2.864 -12.059 2.439 1.00 0.00 C ATOM 166 OH TYR A 517 3.315 -13.125 3.183 1.00 0.00 O ATOM 0 H TYR A 517 -0.902 -8.311 0.961 1.00 0.00 H new ATOM 0 HA TYR A 517 1.746 -7.418 1.802 1.00 0.00 H new ATOM 0 HB2 TYR A 517 0.602 -9.052 -0.477 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.237 -8.428 -0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 517 0.023 -10.421 1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 517 3.999 -9.667 0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 517 0.825 -12.325 3.023 1.00 0.00 H new ATOM 0 HE2 TYR A 517 4.805 -11.568 1.695 1.00 0.00 H new ATOM 0 HH TYR A 517 4.284 -13.215 3.072 1.00 0.00 H new ATOM 176 N TRP A 518 0.133 -6.093 -0.758 1.00 0.00 N ATOM 177 CA TRP A 518 0.086 -4.922 -1.631 1.00 0.00 C ATOM 178 C TRP A 518 -0.575 -3.726 -0.950 1.00 0.00 C ATOM 179 O TRP A 518 -0.561 -2.620 -1.486 1.00 0.00 O ATOM 180 CB TRP A 518 -0.659 -5.259 -2.923 1.00 0.00 C ATOM 181 CG TRP A 518 0.139 -6.105 -3.868 1.00 0.00 C ATOM 182 CD1 TRP A 518 1.314 -5.768 -4.475 1.00 0.00 C ATOM 183 CD2 TRP A 518 -0.180 -7.427 -4.313 1.00 0.00 C ATOM 184 NE1 TRP A 518 1.746 -6.801 -5.272 1.00 0.00 N ATOM 185 CE2 TRP A 518 0.846 -7.832 -5.190 1.00 0.00 C ATOM 186 CE3 TRP A 518 -1.232 -8.311 -4.057 1.00 0.00 C ATOM 187 CZ2 TRP A 518 0.849 -9.079 -5.808 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -1.228 -9.548 -4.671 1.00 0.00 C ATOM 189 CH2 TRP A 518 -0.194 -9.923 -5.539 1.00 0.00 C ATOM 0 H TRP A 518 -0.632 -6.753 -0.896 1.00 0.00 H new ATOM 0 HA TRP A 518 1.115 -4.646 -1.861 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.584 -5.779 -2.675 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -0.939 -4.332 -3.424 1.00 0.00 H new ATOM 0 HD1 TRP A 518 1.829 -4.827 -4.348 1.00 0.00 H new ATOM 0 HE1 TRP A 518 2.598 -6.801 -5.833 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -2.034 -8.031 -3.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 1.646 -9.370 -6.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -2.036 -10.238 -4.479 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -0.221 -10.897 -6.005 1.00 0.00 H new ATOM 200 N THR A 519 -1.155 -3.948 0.227 1.00 0.00 N ATOM 201 CA THR A 519 -1.822 -2.877 0.965 1.00 0.00 C ATOM 202 C THR A 519 -2.958 -2.278 0.130 1.00 0.00 C ATOM 203 O THR A 519 -4.126 -2.604 0.337 1.00 0.00 O ATOM 204 CB THR A 519 -0.808 -1.798 1.381 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.578 -0.876 0.330 1.00 0.00 O ATOM 206 CG2 THR A 519 0.535 -2.371 1.781 1.00 0.00 C ATOM 0 H THR A 519 -1.177 -4.857 0.690 1.00 0.00 H new ATOM 0 HA THR A 519 -2.257 -3.296 1.872 1.00 0.00 H new ATOM 0 HB THR A 519 -1.257 -1.304 2.242 1.00 0.00 H new ATOM 0 HG1 THR A 519 -0.189 -1.345 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 519 1.207 -1.560 2.064 1.00 0.00 H new ATOM 0 HG22 THR A 519 0.405 -3.046 2.627 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.961 -2.919 0.941 1.00 0.00 H new ATOM 214 N THR A 520 -2.610 -1.419 -0.825 1.00 0.00 N ATOM 215 CA THR A 520 -3.593 -0.793 -1.703 1.00 0.00 C ATOM 216 C THR A 520 -2.904 0.261 -2.555 1.00 0.00 C ATOM 217 O THR A 520 -2.831 0.139 -3.777 1.00 0.00 O ATOM 218 CB THR A 520 -4.731 -0.160 -0.895 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.757 -1.104 -0.650 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.360 1.027 -1.587 1.00 0.00 C ATOM 0 H THR A 520 -1.647 -1.140 -1.011 1.00 0.00 H new ATOM 0 HA THR A 520 -4.027 -1.559 -2.346 1.00 0.00 H new ATOM 0 HB THR A 520 -4.274 0.177 0.036 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.368 -2.001 -0.588 1.00 0.00 H new ATOM 0 HG21 THR A 520 -6.159 1.430 -0.964 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.604 1.795 -1.750 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.771 0.713 -2.546 1.00 0.00 H new ATOM 228 N GLN A 521 -2.364 1.278 -1.895 1.00 0.00 N ATOM 229 CA GLN A 521 -1.639 2.327 -2.590 1.00 0.00 C ATOM 230 C GLN A 521 -0.282 1.798 -3.007 1.00 0.00 C ATOM 231 O GLN A 521 0.420 2.409 -3.814 1.00 0.00 O ATOM 232 CB GLN A 521 -1.484 3.563 -1.702 1.00 0.00 C ATOM 233 CG GLN A 521 -2.625 4.557 -1.841 1.00 0.00 C ATOM 234 CD GLN A 521 -2.157 5.997 -1.768 1.00 0.00 C ATOM 235 OE1 GLN A 521 -1.762 6.584 -2.775 1.00 0.00 O ATOM 236 NE2 GLN A 521 -2.199 6.573 -0.572 1.00 0.00 N ATOM 0 H GLN A 521 -2.416 1.396 -0.883 1.00 0.00 H new ATOM 0 HA GLN A 521 -2.201 2.625 -3.475 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -1.413 3.246 -0.661 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.546 4.062 -1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -3.132 4.392 -2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -3.357 4.377 -1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -2.534 6.048 0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -1.896 7.541 -0.461 1.00 0.00 H new ATOM 245 N ASP A 522 0.070 0.638 -2.465 1.00 0.00 N ATOM 246 CA ASP A 522 1.325 0.002 -2.789 1.00 0.00 C ATOM 247 C ASP A 522 1.139 -1.004 -3.925 1.00 0.00 C ATOM 248 O ASP A 522 2.109 -1.514 -4.483 1.00 0.00 O ATOM 249 CB ASP A 522 1.926 -0.685 -1.562 1.00 0.00 C ATOM 250 CG ASP A 522 2.004 0.232 -0.356 1.00 0.00 C ATOM 251 OD1 ASP A 522 1.395 1.322 -0.395 1.00 0.00 O ATOM 252 OD2 ASP A 522 2.672 -0.142 0.631 1.00 0.00 O ATOM 0 H ASP A 522 -0.504 0.123 -1.797 1.00 0.00 H new ATOM 0 HA ASP A 522 2.019 0.776 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.326 -1.559 -1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 522 2.926 -1.044 -1.805 1.00 0.00 H new ATOM 257 N GLU A 523 -0.122 -1.288 -4.252 1.00 0.00 N ATOM 258 CA GLU A 523 -0.455 -2.235 -5.311 1.00 0.00 C ATOM 259 C GLU A 523 0.395 -2.003 -6.559 1.00 0.00 C ATOM 260 O GLU A 523 0.645 -2.930 -7.331 1.00 0.00 O ATOM 261 CB GLU A 523 -1.944 -2.119 -5.658 1.00 0.00 C ATOM 262 CG GLU A 523 -2.297 -0.877 -6.465 1.00 0.00 C ATOM 263 CD GLU A 523 -3.739 -0.875 -6.931 1.00 0.00 C ATOM 264 OE1 GLU A 523 -4.016 -1.440 -8.010 1.00 0.00 O ATOM 265 OE2 GLU A 523 -4.593 -0.309 -6.216 1.00 0.00 O ATOM 0 H GLU A 523 -0.933 -0.872 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.241 -3.240 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -2.245 -3.003 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.523 -2.116 -4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -2.114 0.010 -5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.639 -0.812 -7.332 1.00 0.00 H new ATOM 272 N GLY A 524 0.837 -0.765 -6.753 1.00 0.00 N ATOM 273 CA GLY A 524 1.652 -0.446 -7.908 1.00 0.00 C ATOM 274 C GLY A 524 1.398 0.955 -8.421 1.00 0.00 C ATOM 275 O GLY A 524 1.305 1.173 -9.629 1.00 0.00 O ATOM 0 H GLY A 524 0.645 0.021 -6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.705 -0.549 -7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.449 -1.164 -8.703 1.00 0.00 H new ATOM 279 N ALA A 525 1.277 1.908 -7.502 1.00 0.00 N ATOM 280 CA ALA A 525 1.021 3.292 -7.878 1.00 0.00 C ATOM 281 C ALA A 525 2.287 4.141 -7.821 1.00 0.00 C ATOM 282 O ALA A 525 2.703 4.716 -8.825 1.00 0.00 O ATOM 283 CB ALA A 525 -0.060 3.890 -6.989 1.00 0.00 C ATOM 0 H ALA A 525 1.352 1.748 -6.497 1.00 0.00 H new ATOM 0 HA ALA A 525 0.674 3.293 -8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 525 -0.241 4.924 -7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -0.980 3.316 -7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 525 0.265 3.859 -5.949 1.00 0.00 H new ATOM 289 N ALA A 526 2.897 4.212 -6.645 1.00 0.00 N ATOM 290 CA ALA A 526 4.119 4.988 -6.464 1.00 0.00 C ATOM 291 C ALA A 526 5.153 4.167 -5.725 1.00 0.00 C ATOM 292 O ALA A 526 5.908 4.677 -4.898 1.00 0.00 O ATOM 293 CB ALA A 526 3.826 6.284 -5.724 1.00 0.00 C ATOM 0 H ALA A 526 2.567 3.742 -5.802 1.00 0.00 H new ATOM 0 HA ALA A 526 4.519 5.244 -7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 526 4.750 6.848 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.113 6.877 -6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 526 3.404 6.057 -4.745 1.00 0.00 H new ATOM 299 N ILE A 527 5.154 2.880 -6.023 1.00 0.00 N ATOM 300 CA ILE A 527 6.060 1.943 -5.394 1.00 0.00 C ATOM 301 C ILE A 527 7.317 1.692 -6.223 1.00 0.00 C ATOM 302 O ILE A 527 8.184 0.918 -5.823 1.00 0.00 O ATOM 303 CB ILE A 527 5.330 0.618 -5.125 1.00 0.00 C ATOM 304 CG1 ILE A 527 4.713 0.057 -6.413 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.246 0.859 -4.093 1.00 0.00 C ATOM 306 CD1 ILE A 527 5.731 -0.393 -7.439 1.00 0.00 C ATOM 0 H ILE A 527 4.526 2.458 -6.707 1.00 0.00 H new ATOM 0 HA ILE A 527 6.385 2.388 -4.453 1.00 0.00 H new ATOM 0 HB ILE A 527 6.047 -0.114 -4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.072 -0.787 -6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.075 0.819 -6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 527 3.720 -0.074 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 527 4.697 1.226 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.541 1.599 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.215 -0.776 -8.319 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.358 0.452 -7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.354 -1.179 -7.013 1.00 0.00 H new ATOM 318 N GLY A 528 7.406 2.335 -7.382 1.00 0.00 N ATOM 319 CA GLY A 528 8.555 2.151 -8.252 1.00 0.00 C ATOM 320 C GLY A 528 9.875 2.586 -7.635 1.00 0.00 C ATOM 321 O GLY A 528 10.935 2.352 -8.216 1.00 0.00 O ATOM 0 H GLY A 528 6.702 2.982 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 528 8.624 1.099 -8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 528 8.394 2.712 -9.173 1.00 0.00 H new ATOM 325 N LEU A 529 9.829 3.227 -6.468 1.00 0.00 N ATOM 326 CA LEU A 529 11.050 3.686 -5.814 1.00 0.00 C ATOM 327 C LEU A 529 11.506 2.712 -4.730 1.00 0.00 C ATOM 328 O LEU A 529 12.703 2.525 -4.515 1.00 0.00 O ATOM 329 CB LEU A 529 10.836 5.074 -5.209 1.00 0.00 C ATOM 330 CG LEU A 529 9.499 5.267 -4.489 1.00 0.00 C ATOM 331 CD1 LEU A 529 9.678 6.134 -3.252 1.00 0.00 C ATOM 332 CD2 LEU A 529 8.472 5.881 -5.428 1.00 0.00 C ATOM 0 H LEU A 529 8.969 3.438 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 529 11.832 3.738 -6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 529 11.643 5.275 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 529 10.914 5.816 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 529 9.135 4.290 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 529 8.717 6.260 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 529 10.380 5.654 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 529 10.065 7.110 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 529 7.528 6.011 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 529 8.830 6.850 -5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 529 8.321 5.222 -6.283 1.00 0.00 H new ATOM 344 N ALA A 530 10.545 2.110 -4.041 1.00 0.00 N ATOM 345 CA ALA A 530 10.845 1.170 -2.964 1.00 0.00 C ATOM 346 C ALA A 530 10.640 -0.281 -3.382 1.00 0.00 C ATOM 347 O ALA A 530 10.855 -1.198 -2.589 1.00 0.00 O ATOM 348 CB ALA A 530 9.969 1.469 -1.773 1.00 0.00 C ATOM 0 H ALA A 530 9.549 2.255 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 530 11.897 1.296 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 530 10.194 0.767 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 530 10.157 2.486 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 530 8.922 1.371 -2.058 1.00 0.00 H new ATOM 354 N TRP A 531 10.210 -0.491 -4.616 1.00 0.00 N ATOM 355 CA TRP A 531 9.963 -1.835 -5.116 1.00 0.00 C ATOM 356 C TRP A 531 11.194 -2.727 -4.992 1.00 0.00 C ATOM 357 O TRP A 531 11.102 -3.944 -5.151 1.00 0.00 O ATOM 358 CB TRP A 531 9.501 -1.765 -6.565 1.00 0.00 C ATOM 359 CG TRP A 531 8.666 -2.937 -6.982 1.00 0.00 C ATOM 360 CD1 TRP A 531 8.961 -3.852 -7.951 1.00 0.00 C ATOM 361 CD2 TRP A 531 7.395 -3.319 -6.441 1.00 0.00 C ATOM 362 NE1 TRP A 531 7.952 -4.781 -8.045 1.00 0.00 N ATOM 363 CE2 TRP A 531 6.980 -4.475 -7.128 1.00 0.00 C ATOM 364 CE3 TRP A 531 6.570 -2.797 -5.441 1.00 0.00 C ATOM 365 CZ2 TRP A 531 5.775 -5.115 -6.847 1.00 0.00 C ATOM 366 CZ3 TRP A 531 5.375 -3.433 -5.163 1.00 0.00 C ATOM 367 CH2 TRP A 531 4.988 -4.582 -5.864 1.00 0.00 C ATOM 0 H TRP A 531 10.025 0.252 -5.290 1.00 0.00 H new ATOM 0 HA TRP A 531 9.180 -2.282 -4.504 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.928 -0.850 -6.712 1.00 0.00 H new ATOM 0 HB3 TRP A 531 10.374 -1.702 -7.214 1.00 0.00 H new ATOM 0 HD1 TRP A 531 9.856 -3.847 -8.555 1.00 0.00 H new ATOM 0 HE1 TRP A 531 7.930 -5.569 -8.692 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.861 -1.912 -4.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 5.473 -6.001 -7.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 4.729 -3.038 -4.393 1.00 0.00 H new ATOM 0 HH2 TRP A 531 4.048 -5.057 -5.623 1.00 0.00 H new ATOM 378 N ILE A 532 12.343 -2.126 -4.706 1.00 0.00 N ATOM 379 CA ILE A 532 13.570 -2.886 -4.561 1.00 0.00 C ATOM 380 C ILE A 532 14.294 -2.521 -3.267 1.00 0.00 C ATOM 381 O ILE A 532 15.296 -1.806 -3.281 1.00 0.00 O ATOM 382 CB ILE A 532 14.500 -2.655 -5.764 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.803 -1.162 -5.927 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.854 -3.208 -7.024 1.00 0.00 C ATOM 385 CD1 ILE A 532 16.229 -0.788 -5.586 1.00 0.00 C ATOM 0 H ILE A 532 12.447 -1.120 -4.571 1.00 0.00 H new ATOM 0 HA ILE A 532 13.301 -3.941 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 532 15.442 -3.176 -5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.597 -0.869 -6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 532 14.126 -0.592 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.515 -3.043 -7.875 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.678 -4.277 -6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.905 -2.701 -7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.367 0.284 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.435 -1.048 -4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.913 -1.330 -6.239 1.00 0.00 H new ATOM 397 N PRO A 533 13.788 -3.013 -2.121 1.00 0.00 N ATOM 398 CA PRO A 533 14.375 -2.745 -0.805 1.00 0.00 C ATOM 399 C PRO A 533 15.889 -2.937 -0.786 1.00 0.00 C ATOM 400 O PRO A 533 16.382 -4.039 -0.547 1.00 0.00 O ATOM 401 CB PRO A 533 13.696 -3.767 0.121 1.00 0.00 C ATOM 402 CG PRO A 533 12.890 -4.660 -0.770 1.00 0.00 C ATOM 403 CD PRO A 533 12.602 -3.869 -2.011 1.00 0.00 C ATOM 0 HA PRO A 533 14.216 -1.710 -0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 533 14.436 -4.339 0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 533 13.060 -3.268 0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 533 13.440 -5.570 -1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.965 -4.965 -0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.482 -4.511 -2.883 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.687 -3.285 -1.917 1.00 0.00 H new ATOM 411 N TYR A 534 16.620 -1.854 -1.033 1.00 0.00 N ATOM 412 CA TYR A 534 18.077 -1.899 -1.037 1.00 0.00 C ATOM 413 C TYR A 534 18.645 -1.460 0.311 1.00 0.00 C ATOM 414 O TYR A 534 19.774 -1.802 0.660 1.00 0.00 O ATOM 415 CB TYR A 534 18.632 -1.010 -2.152 1.00 0.00 C ATOM 416 CG TYR A 534 18.324 0.459 -1.967 1.00 0.00 C ATOM 417 CD1 TYR A 534 17.110 0.991 -2.382 1.00 0.00 C ATOM 418 CD2 TYR A 534 19.248 1.312 -1.377 1.00 0.00 C ATOM 419 CE1 TYR A 534 16.825 2.332 -2.215 1.00 0.00 C ATOM 420 CE2 TYR A 534 18.970 2.655 -1.206 1.00 0.00 C ATOM 421 CZ TYR A 534 17.759 3.160 -1.626 1.00 0.00 C ATOM 422 OH TYR A 534 17.478 4.496 -1.458 1.00 0.00 O ATOM 0 H TYR A 534 16.226 -0.935 -1.233 1.00 0.00 H new ATOM 0 HA TYR A 534 18.381 -2.930 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 534 19.713 -1.142 -2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 534 18.222 -1.341 -3.106 1.00 0.00 H new ATOM 0 HD1 TYR A 534 16.377 0.346 -2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 534 20.198 0.920 -1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 534 15.876 2.731 -2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 534 19.699 3.306 -0.745 1.00 0.00 H new ATOM 0 HH TYR A 534 18.239 4.939 -1.027 1.00 0.00 H new ATOM 432 N PHE A 535 17.857 -0.693 1.063 1.00 0.00 N ATOM 433 CA PHE A 535 18.287 -0.203 2.368 1.00 0.00 C ATOM 434 C PHE A 535 18.272 -1.317 3.411 1.00 0.00 C ATOM 435 O PHE A 535 19.118 -1.350 4.306 1.00 0.00 O ATOM 436 CB PHE A 535 17.389 0.948 2.823 1.00 0.00 C ATOM 437 CG PHE A 535 18.136 2.063 3.499 1.00 0.00 C ATOM 438 CD1 PHE A 535 18.503 1.961 4.830 1.00 0.00 C ATOM 439 CD2 PHE A 535 18.471 3.212 2.800 1.00 0.00 C ATOM 440 CE1 PHE A 535 19.191 2.984 5.453 1.00 0.00 C ATOM 441 CE2 PHE A 535 19.160 4.239 3.419 1.00 0.00 C ATOM 442 CZ PHE A 535 19.520 4.125 4.747 1.00 0.00 C ATOM 0 H PHE A 535 16.919 -0.399 0.790 1.00 0.00 H new ATOM 0 HA PHE A 535 19.311 0.157 2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 535 16.860 1.348 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 535 16.634 0.560 3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 535 18.249 1.072 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 535 18.191 3.306 1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 535 19.472 2.892 6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 535 19.416 5.129 2.864 1.00 0.00 H new ATOM 0 HZ PHE A 535 20.058 4.926 5.233 1.00 0.00 H new ATOM 452 N GLY A 536 17.310 -2.226 3.294 1.00 0.00 N ATOM 453 CA GLY A 536 17.215 -3.325 4.240 1.00 0.00 C ATOM 454 C GLY A 536 15.789 -3.810 4.439 1.00 0.00 C ATOM 455 O GLY A 536 15.470 -4.949 4.103 1.00 0.00 O ATOM 0 H GLY A 536 16.597 -2.223 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 536 17.830 -4.154 3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 536 17.623 -3.008 5.200 1.00 0.00 H new ATOM 459 N PRO A 537 14.901 -2.960 4.986 1.00 0.00 N ATOM 460 CA PRO A 537 13.501 -3.323 5.222 1.00 0.00 C ATOM 461 C PRO A 537 12.783 -3.698 3.936 1.00 0.00 C ATOM 462 O PRO A 537 13.414 -3.955 2.911 1.00 0.00 O ATOM 463 CB PRO A 537 12.889 -2.054 5.829 1.00 0.00 C ATOM 464 CG PRO A 537 13.827 -0.956 5.460 1.00 0.00 C ATOM 465 CD PRO A 537 15.188 -1.583 5.415 1.00 0.00 C ATOM 0 HA PRO A 537 13.412 -4.197 5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 537 11.891 -1.869 5.433 1.00 0.00 H new ATOM 0 HB3 PRO A 537 12.791 -2.142 6.911 1.00 0.00 H new ATOM 0 HG2 PRO A 537 13.563 -0.523 4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 537 13.792 -0.149 6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 537 15.846 -1.070 4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 537 15.677 -1.557 6.389 1.00 0.00 H new ATOM 473 N ALA A 538 11.460 -3.723 3.995 1.00 0.00 N ATOM 474 CA ALA A 538 10.654 -4.062 2.830 1.00 0.00 C ATOM 475 C ALA A 538 10.714 -2.951 1.794 1.00 0.00 C ATOM 476 O ALA A 538 10.911 -3.207 0.606 1.00 0.00 O ATOM 477 CB ALA A 538 9.211 -4.329 3.230 1.00 0.00 C ATOM 0 H ALA A 538 10.922 -3.513 4.836 1.00 0.00 H new ATOM 0 HA ALA A 538 11.065 -4.971 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 538 8.628 -4.580 2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 538 9.177 -5.160 3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 538 8.793 -3.438 3.699 1.00 0.00 H new ATOM 483 N ALA A 539 10.547 -1.712 2.251 1.00 0.00 N ATOM 484 CA ALA A 539 10.585 -0.547 1.364 1.00 0.00 C ATOM 485 C ALA A 539 9.363 -0.486 0.464 1.00 0.00 C ATOM 486 O ALA A 539 8.680 0.535 0.384 1.00 0.00 O ATOM 487 CB ALA A 539 11.829 -0.586 0.503 1.00 0.00 C ATOM 0 H ALA A 539 10.384 -1.487 3.232 1.00 0.00 H new ATOM 0 HA ALA A 539 10.595 0.341 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.846 0.285 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 539 12.713 -0.578 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.825 -1.494 -0.101 1.00 0.00 H new ATOM 493 N GLU A 540 9.118 -1.594 -0.216 1.00 0.00 N ATOM 494 CA GLU A 540 8.005 -1.737 -1.146 1.00 0.00 C ATOM 495 C GLU A 540 6.743 -1.017 -0.662 1.00 0.00 C ATOM 496 O GLU A 540 5.926 -0.579 -1.471 1.00 0.00 O ATOM 497 CB GLU A 540 7.733 -3.225 -1.340 1.00 0.00 C ATOM 498 CG GLU A 540 8.381 -3.810 -2.584 1.00 0.00 C ATOM 499 CD GLU A 540 8.093 -5.288 -2.751 1.00 0.00 C ATOM 500 OE1 GLU A 540 7.735 -5.941 -1.747 1.00 0.00 O ATOM 501 OE2 GLU A 540 8.223 -5.795 -3.885 1.00 0.00 O ATOM 0 H GLU A 540 9.694 -2.432 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 540 8.278 -1.271 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 540 8.092 -3.767 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.656 -3.384 -1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 540 8.023 -3.273 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 540 9.459 -3.657 -2.534 1.00 0.00 H new ATOM 508 N GLY A 541 6.595 -0.884 0.652 1.00 0.00 N ATOM 509 CA GLY A 541 5.436 -0.199 1.198 1.00 0.00 C ATOM 510 C GLY A 541 5.822 0.913 2.159 1.00 0.00 C ATOM 511 O GLY A 541 5.232 1.992 2.145 1.00 0.00 O ATOM 0 H GLY A 541 7.253 -1.236 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.846 0.218 0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.802 -0.919 1.715 1.00 0.00 H new ATOM 515 N ILE A 542 6.812 0.641 3.001 1.00 0.00 N ATOM 516 CA ILE A 542 7.278 1.613 3.989 1.00 0.00 C ATOM 517 C ILE A 542 8.133 2.717 3.366 1.00 0.00 C ATOM 518 O ILE A 542 8.210 3.821 3.905 1.00 0.00 O ATOM 519 CB ILE A 542 8.081 0.938 5.121 1.00 0.00 C ATOM 520 CG1 ILE A 542 9.163 0.017 4.550 1.00 0.00 C ATOM 521 CG2 ILE A 542 7.151 0.161 6.040 1.00 0.00 C ATOM 522 CD1 ILE A 542 10.492 0.705 4.330 1.00 0.00 C ATOM 0 H ILE A 542 7.311 -0.248 3.021 1.00 0.00 H new ATOM 0 HA ILE A 542 6.376 2.064 4.403 1.00 0.00 H new ATOM 0 HB ILE A 542 8.573 1.718 5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 542 9.307 -0.824 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.815 -0.394 3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 542 7.732 -0.309 6.833 1.00 0.00 H new ATOM 0 HG22 ILE A 542 6.422 0.841 6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 542 6.631 -0.607 5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 542 11.209 -0.009 3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 542 10.363 1.529 3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 542 10.863 1.092 5.279 1.00 0.00 H new ATOM 534 N TYR A 543 8.773 2.429 2.234 1.00 0.00 N ATOM 535 CA TYR A 543 9.610 3.427 1.568 1.00 0.00 C ATOM 536 C TYR A 543 9.040 3.792 0.200 1.00 0.00 C ATOM 537 O TYR A 543 9.533 4.700 -0.467 1.00 0.00 O ATOM 538 CB TYR A 543 11.047 2.921 1.425 1.00 0.00 C ATOM 539 CG TYR A 543 12.084 3.912 1.899 1.00 0.00 C ATOM 540 CD1 TYR A 543 12.407 5.029 1.139 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.739 3.731 3.111 1.00 0.00 C ATOM 542 CE1 TYR A 543 13.354 5.937 1.572 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.687 4.636 3.550 1.00 0.00 C ATOM 544 CZ TYR A 543 13.991 5.736 2.778 1.00 0.00 C ATOM 545 OH TYR A 543 14.933 6.639 3.213 1.00 0.00 O ATOM 0 H TYR A 543 8.730 1.525 1.763 1.00 0.00 H new ATOM 0 HA TYR A 543 9.618 4.324 2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 543 11.156 1.995 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 543 11.237 2.681 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 543 11.910 5.190 0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.504 2.870 3.719 1.00 0.00 H new ATOM 0 HE1 TYR A 543 13.594 6.800 0.969 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.188 4.482 4.494 1.00 0.00 H new ATOM 0 HH TYR A 543 15.285 6.351 4.081 1.00 0.00 H new ATOM 555 N ALA A 544 7.989 3.087 -0.200 1.00 0.00 N ATOM 556 CA ALA A 544 7.334 3.337 -1.472 1.00 0.00 C ATOM 557 C ALA A 544 6.046 4.110 -1.244 1.00 0.00 C ATOM 558 O ALA A 544 5.637 4.924 -2.071 1.00 0.00 O ATOM 559 CB ALA A 544 7.047 2.019 -2.169 1.00 0.00 C ATOM 0 H ALA A 544 7.572 2.333 0.345 1.00 0.00 H new ATOM 0 HA ALA A 544 7.990 3.932 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.556 2.211 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 544 7.983 1.488 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.396 1.410 -1.542 1.00 0.00 H new ATOM 565 N GLU A 545 5.413 3.843 -0.105 1.00 0.00 N ATOM 566 CA GLU A 545 4.169 4.509 0.251 1.00 0.00 C ATOM 567 C GLU A 545 4.320 5.314 1.538 1.00 0.00 C ATOM 568 O GLU A 545 3.698 6.363 1.706 1.00 0.00 O ATOM 569 CB GLU A 545 3.070 3.468 0.435 1.00 0.00 C ATOM 570 CG GLU A 545 1.741 4.074 0.843 1.00 0.00 C ATOM 571 CD GLU A 545 1.090 4.836 -0.296 1.00 0.00 C ATOM 572 OE1 GLU A 545 1.518 4.652 -1.455 1.00 0.00 O ATOM 573 OE2 GLU A 545 0.154 5.618 -0.033 1.00 0.00 O ATOM 0 H GLU A 545 5.743 3.169 0.586 1.00 0.00 H new ATOM 0 HA GLU A 545 3.908 5.195 -0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 545 2.941 2.916 -0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.382 2.748 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 545 1.070 3.284 1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 545 1.893 4.745 1.688 1.00 0.00 H new ATOM 580 N GLY A 546 5.159 4.810 2.434 1.00 0.00 N ATOM 581 CA GLY A 546 5.412 5.464 3.705 1.00 0.00 C ATOM 582 C GLY A 546 4.197 6.153 4.303 1.00 0.00 C ATOM 583 O GLY A 546 4.325 7.236 4.874 1.00 0.00 O ATOM 0 H GLY A 546 5.678 3.943 2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.782 4.724 4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.204 6.201 3.571 1.00 0.00 H new ATOM 587 N LEU A 547 3.016 5.538 4.193 1.00 0.00 N ATOM 588 CA LEU A 547 1.819 6.151 4.759 1.00 0.00 C ATOM 589 C LEU A 547 0.591 5.239 4.669 1.00 0.00 C ATOM 590 O LEU A 547 0.024 4.858 5.693 1.00 0.00 O ATOM 591 CB LEU A 547 1.583 7.515 4.084 1.00 0.00 C ATOM 592 CG LEU A 547 0.229 7.735 3.392 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.288 9.139 3.670 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.364 7.507 1.893 1.00 0.00 C ATOM 0 H LEU A 547 2.867 4.641 3.730 1.00 0.00 H new ATOM 0 HA LEU A 547 1.981 6.307 5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.705 8.291 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.368 7.665 3.343 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.488 7.018 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.248 9.278 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.413 9.275 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.426 9.871 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.601 7.666 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.093 8.206 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.698 6.486 1.709 1.00 0.00 H new ATOM 606 N MET A 548 0.180 4.889 3.458 1.00 0.00 N ATOM 607 CA MET A 548 -0.981 4.022 3.276 1.00 0.00 C ATOM 608 C MET A 548 -0.564 2.567 3.097 1.00 0.00 C ATOM 609 O MET A 548 -1.381 1.719 2.737 1.00 0.00 O ATOM 610 CB MET A 548 -1.818 4.480 2.080 1.00 0.00 C ATOM 611 CG MET A 548 -3.115 5.169 2.473 1.00 0.00 C ATOM 612 SD MET A 548 -2.931 6.951 2.666 1.00 0.00 S ATOM 613 CE MET A 548 -4.643 7.475 2.622 1.00 0.00 C ATOM 0 H MET A 548 0.628 5.188 2.592 1.00 0.00 H new ATOM 0 HA MET A 548 -1.588 4.094 4.178 1.00 0.00 H new ATOM 0 HB2 MET A 548 -1.224 5.162 1.471 1.00 0.00 H new ATOM 0 HB3 MET A 548 -2.050 3.616 1.457 1.00 0.00 H new ATOM 0 HG2 MET A 548 -3.872 4.967 1.715 1.00 0.00 H new ATOM 0 HG3 MET A 548 -3.478 4.743 3.408 1.00 0.00 H new ATOM 0 HE1 MET A 548 -4.695 8.558 2.730 1.00 0.00 H new ATOM 0 HE2 MET A 548 -5.088 7.183 1.671 1.00 0.00 H new ATOM 0 HE3 MET A 548 -5.189 7.002 3.438 1.00 0.00 H new ATOM 623 N HIS A 549 0.705 2.277 3.364 1.00 0.00 N ATOM 624 CA HIS A 549 1.213 0.919 3.245 1.00 0.00 C ATOM 625 C HIS A 549 0.498 -0.014 4.217 1.00 0.00 C ATOM 626 O HIS A 549 0.646 -1.232 4.145 1.00 0.00 O ATOM 627 CB HIS A 549 2.719 0.891 3.506 1.00 0.00 C ATOM 628 CG HIS A 549 3.126 1.612 4.753 1.00 0.00 C ATOM 629 ND1 HIS A 549 3.958 2.712 4.751 1.00 0.00 N ATOM 630 CD2 HIS A 549 2.810 1.386 6.051 1.00 0.00 C ATOM 631 CE1 HIS A 549 4.137 3.130 5.991 1.00 0.00 C ATOM 632 NE2 HIS A 549 3.451 2.342 6.799 1.00 0.00 N ATOM 0 H HIS A 549 1.397 2.964 3.663 1.00 0.00 H new ATOM 0 HA HIS A 549 1.022 0.573 2.229 1.00 0.00 H new ATOM 0 HB2 HIS A 549 3.048 -0.146 3.572 1.00 0.00 H new ATOM 0 HB3 HIS A 549 3.235 1.335 2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 549 2.172 0.600 6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 549 4.741 3.973 6.293 1.00 0.00 H new ATOM 0 HE2 HIS A 549 3.405 2.430 7.814 1.00 0.00 H new ATOM 641 N ASN A 550 -0.263 0.561 5.143 1.00 0.00 N ATOM 642 CA ASN A 550 -0.978 -0.232 6.133 1.00 0.00 C ATOM 643 C ASN A 550 -2.416 -0.516 5.708 1.00 0.00 C ATOM 644 O ASN A 550 -2.971 -1.562 6.043 1.00 0.00 O ATOM 645 CB ASN A 550 -0.961 0.487 7.482 1.00 0.00 C ATOM 646 CG ASN A 550 -1.672 -0.296 8.570 1.00 0.00 C ATOM 647 OD1 ASN A 550 -2.781 0.052 8.978 1.00 0.00 O ATOM 648 ND2 ASN A 550 -1.035 -1.358 9.047 1.00 0.00 N ATOM 0 H ASN A 550 -0.399 1.568 5.227 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.469 -1.192 6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 550 0.072 0.663 7.782 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.433 1.464 7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -1.463 -1.922 9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -0.117 -1.610 8.680 1.00 0.00 H new ATOM 655 N GLN A 551 -3.016 0.415 4.979 1.00 0.00 N ATOM 656 CA GLN A 551 -4.389 0.254 4.518 1.00 0.00 C ATOM 657 C GLN A 551 -4.493 -0.912 3.541 1.00 0.00 C ATOM 658 O GLN A 551 -4.622 -0.726 2.332 1.00 0.00 O ATOM 659 CB GLN A 551 -4.896 1.543 3.865 1.00 0.00 C ATOM 660 CG GLN A 551 -4.164 1.913 2.585 1.00 0.00 C ATOM 661 CD GLN A 551 -5.108 2.145 1.421 1.00 0.00 C ATOM 662 OE1 GLN A 551 -6.203 1.584 1.375 1.00 0.00 O ATOM 663 NE2 GLN A 551 -4.688 2.973 0.472 1.00 0.00 N ATOM 0 H GLN A 551 -2.574 1.289 4.694 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.015 0.038 5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -5.958 1.435 3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -4.799 2.362 4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.574 2.814 2.755 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -3.464 1.118 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.773 3.416 0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -5.281 3.166 -0.336 1.00 0.00 H new ATOM 672 N ASP A 552 -4.428 -2.121 4.083 1.00 0.00 N ATOM 673 CA ASP A 552 -4.503 -3.334 3.276 1.00 0.00 C ATOM 674 C ASP A 552 -5.939 -3.665 2.871 1.00 0.00 C ATOM 675 O ASP A 552 -6.234 -4.801 2.503 1.00 0.00 O ATOM 676 CB ASP A 552 -3.904 -4.514 4.044 1.00 0.00 C ATOM 677 CG ASP A 552 -2.445 -4.296 4.397 1.00 0.00 C ATOM 678 OD1 ASP A 552 -1.579 -4.575 3.543 1.00 0.00 O ATOM 679 OD2 ASP A 552 -2.169 -3.849 5.529 1.00 0.00 O ATOM 0 H ASP A 552 -4.323 -2.289 5.084 1.00 0.00 H new ATOM 0 HA ASP A 552 -3.931 -3.154 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -4.475 -4.676 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -3.998 -5.419 3.444 1.00 0.00 H new ATOM 684 N GLY A 553 -6.826 -2.678 2.937 1.00 0.00 N ATOM 685 CA GLY A 553 -8.213 -2.901 2.576 1.00 0.00 C ATOM 686 C GLY A 553 -9.153 -2.535 3.703 1.00 0.00 C ATOM 687 O GLY A 553 -10.280 -2.097 3.472 1.00 0.00 O ATOM 0 H GLY A 553 -6.609 -1.727 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -8.458 -2.311 1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.355 -3.948 2.310 1.00 0.00 H new ATOM 691 N LEU A 554 -8.674 -2.703 4.930 1.00 0.00 N ATOM 692 CA LEU A 554 -9.453 -2.381 6.119 1.00 0.00 C ATOM 693 C LEU A 554 -9.979 -0.957 6.044 1.00 0.00 C ATOM 694 O LEU A 554 -11.182 -0.710 6.136 1.00 0.00 O ATOM 695 CB LEU A 554 -8.575 -2.513 7.358 1.00 0.00 C ATOM 696 CG LEU A 554 -7.698 -3.769 7.404 1.00 0.00 C ATOM 697 CD1 LEU A 554 -6.263 -3.433 7.026 1.00 0.00 C ATOM 698 CD2 LEU A 554 -7.750 -4.406 8.785 1.00 0.00 C ATOM 0 H LEU A 554 -7.741 -3.064 5.128 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.293 -3.073 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.930 -1.636 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -9.215 -2.503 8.240 1.00 0.00 H new ATOM 0 HG LEU A 554 -8.086 -4.485 6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.655 -4.337 7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.239 -3.022 6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.865 -2.698 7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -7.121 -5.296 8.799 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -7.388 -3.695 9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.778 -4.684 9.019 1.00 0.00 H new ATOM 710 N ILE A 555 -9.050 -0.031 5.882 1.00 0.00 N ATOM 711 CA ILE A 555 -9.358 1.381 5.794 1.00 0.00 C ATOM 712 C ILE A 555 -10.080 1.693 4.486 1.00 0.00 C ATOM 713 O ILE A 555 -9.553 2.384 3.614 1.00 0.00 O ATOM 714 CB ILE A 555 -8.059 2.195 5.882 1.00 0.00 C ATOM 715 CG1 ILE A 555 -7.347 1.966 7.224 1.00 0.00 C ATOM 716 CG2 ILE A 555 -8.323 3.676 5.661 1.00 0.00 C ATOM 717 CD1 ILE A 555 -8.264 1.540 8.355 1.00 0.00 C ATOM 0 H ILE A 555 -8.055 -0.242 5.808 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.014 1.651 6.622 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.400 1.846 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.579 1.204 7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.837 2.885 7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.385 4.227 5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.760 3.824 4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.014 4.040 6.422 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -7.680 1.400 9.264 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -9.017 2.310 8.522 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.755 0.603 8.092 1.00 0.00 H new ATOM 729 N CYS A 556 -11.287 1.166 4.363 1.00 0.00 N ATOM 730 CA CYS A 556 -12.100 1.366 3.169 1.00 0.00 C ATOM 731 C CYS A 556 -12.673 2.784 3.107 1.00 0.00 C ATOM 732 O CYS A 556 -13.276 3.169 2.107 1.00 0.00 O ATOM 733 CB CYS A 556 -13.236 0.341 3.126 1.00 0.00 C ATOM 734 SG CYS A 556 -13.990 0.134 1.480 1.00 0.00 S ATOM 0 H CYS A 556 -11.730 0.592 5.080 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.454 1.228 2.302 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -12.854 -0.623 3.463 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -14.009 0.642 3.833 1.00 0.00 H new ATOM 739 N GLY A 557 -12.486 3.552 4.181 1.00 0.00 N ATOM 740 CA GLY A 557 -12.993 4.916 4.231 1.00 0.00 C ATOM 741 C GLY A 557 -12.387 5.838 3.180 1.00 0.00 C ATOM 742 O GLY A 557 -12.749 7.012 3.098 1.00 0.00 O ATOM 0 H GLY A 557 -11.990 3.252 5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -14.075 4.896 4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -12.797 5.330 5.220 1.00 0.00 H new ATOM 746 N LEU A 558 -11.456 5.317 2.388 1.00 0.00 N ATOM 747 CA LEU A 558 -10.785 6.103 1.352 1.00 0.00 C ATOM 748 C LEU A 558 -11.660 6.330 0.112 1.00 0.00 C ATOM 749 O LEU A 558 -11.137 6.498 -0.990 1.00 0.00 O ATOM 750 CB LEU A 558 -9.499 5.397 0.934 1.00 0.00 C ATOM 751 CG LEU A 558 -9.689 3.948 0.483 1.00 0.00 C ATOM 752 CD1 LEU A 558 -10.243 3.900 -0.932 1.00 0.00 C ATOM 753 CD2 LEU A 558 -8.376 3.186 0.572 1.00 0.00 C ATOM 0 H LEU A 558 -11.145 4.347 2.443 1.00 0.00 H new ATOM 0 HA LEU A 558 -10.572 7.082 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -9.038 5.959 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -8.801 5.415 1.771 1.00 0.00 H new ATOM 0 HG LEU A 558 -10.408 3.470 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -10.372 2.862 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -11.206 4.410 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -9.549 4.394 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -8.530 2.157 0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -7.635 3.662 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -8.021 3.192 1.603 1.00 0.00 H new ATOM 765 N ARG A 559 -12.979 6.344 0.282 1.00 0.00 N ATOM 766 CA ARG A 559 -13.885 6.561 -0.846 1.00 0.00 C ATOM 767 C ARG A 559 -13.978 8.044 -1.189 1.00 0.00 C ATOM 768 O ARG A 559 -13.494 8.895 -0.444 1.00 0.00 O ATOM 769 CB ARG A 559 -15.285 6.010 -0.547 1.00 0.00 C ATOM 770 CG ARG A 559 -15.703 6.137 0.908 1.00 0.00 C ATOM 771 CD ARG A 559 -15.364 4.879 1.689 1.00 0.00 C ATOM 772 NE ARG A 559 -16.379 4.570 2.693 1.00 0.00 N ATOM 773 CZ ARG A 559 -16.613 3.345 3.161 1.00 0.00 C ATOM 774 NH1 ARG A 559 -15.901 2.312 2.729 1.00 0.00 N ATOM 775 NH2 ARG A 559 -17.562 3.154 4.067 1.00 0.00 N ATOM 0 H ARG A 559 -13.443 6.209 1.180 1.00 0.00 H new ATOM 0 HA ARG A 559 -13.476 6.024 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.011 6.534 -1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -15.319 4.959 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -15.203 6.994 1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -16.775 6.326 0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -15.267 4.040 1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -14.397 5.004 2.177 1.00 0.00 H new ATOM 0 HE ARG A 559 -16.942 5.338 3.058 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -15.168 2.453 2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -16.086 1.377 3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -18.111 3.944 4.404 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -17.743 2.217 4.427 1.00 0.00 H new ATOM 789 N GLN A 560 -14.606 8.345 -2.322 1.00 0.00 N ATOM 790 CA GLN A 560 -14.764 9.727 -2.765 1.00 0.00 C ATOM 791 C GLN A 560 -13.407 10.370 -3.035 1.00 0.00 C ATOM 792 O GLN A 560 -12.672 10.630 -2.059 1.00 0.00 O ATOM 793 CB GLN A 560 -15.526 10.539 -1.714 1.00 0.00 C ATOM 794 CG GLN A 560 -16.730 9.812 -1.138 1.00 0.00 C ATOM 795 CD GLN A 560 -16.665 9.673 0.370 1.00 0.00 C ATOM 796 OE1 GLN A 560 -16.093 10.519 1.059 1.00 0.00 O ATOM 797 NE2 GLN A 560 -17.251 8.601 0.892 1.00 0.00 N ATOM 798 OXT GLN A 560 -13.091 10.606 -4.219 1.00 0.00 O ATOM 0 H GLN A 560 -15.013 7.652 -2.949 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.335 9.721 -3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -14.845 10.797 -0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -15.858 11.476 -2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -17.638 10.350 -1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -16.800 8.821 -1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -17.714 7.926 0.284 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.238 8.453 1.901 1.00 0.00 H new TER 807 GLN A 560