USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 396 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 521 GLN : amide:sc= -8.52! C(o=-11!,f=-16!) USER MOD Set 1.2: A 550 ASN : amide:sc= -2.89 X(o=-11,f=-11!) USER MOD Single : A 508 GLN : amide:sc= -3.36 K(o=-3.4,f=-1.7) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -3.59! C(o=-3.6!,f=-1!) USER MOD Single : A 514 ASN : amide:sc= -4.29! C(o=-4.3!,f=-3.9!) USER MOD Single : A 516 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.0039) USER MOD Single : A 517 TYR OH : rot 50:sc= 0.135 USER MOD Single : A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 520 THR OG1 : rot -25:sc= -1.59 USER MOD Single : A 534 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 TYR OH : rot 44:sc= 0.0029 USER MOD Single : A 548 MET CE :methyl -157:sc= -3.75 (180deg=-5.79!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 551 GLN : amide:sc= -3.27 K(o=-3.3,f=-12!) USER MOD Single : A 560 GLN : amide:sc= -3.07 K(o=-3.1,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -9.432 -9.225 -1.029 1.00 0.00 N ATOM 2 CA ALA A 507 -9.891 -10.293 -0.104 1.00 0.00 C ATOM 3 C ALA A 507 -9.134 -10.236 1.218 1.00 0.00 C ATOM 4 O ALA A 507 -8.228 -11.034 1.461 1.00 0.00 O ATOM 5 CB ALA A 507 -9.721 -11.660 -0.751 1.00 0.00 C ATOM 0 HA ALA A 507 -10.948 -10.129 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -10.061 -12.433 -0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -10.310 -11.705 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -8.669 -11.822 -0.988 1.00 0.00 H new ATOM 13 N GLN A 508 -9.511 -9.288 2.070 1.00 0.00 N ATOM 14 CA GLN A 508 -8.866 -9.126 3.369 1.00 0.00 C ATOM 15 C GLN A 508 -9.511 -7.991 4.162 1.00 0.00 C ATOM 16 O GLN A 508 -9.670 -6.881 3.651 1.00 0.00 O ATOM 17 CB GLN A 508 -7.372 -8.849 3.188 1.00 0.00 C ATOM 18 CG GLN A 508 -7.070 -7.857 2.077 1.00 0.00 C ATOM 19 CD GLN A 508 -5.582 -7.689 1.835 1.00 0.00 C ATOM 20 OE1 GLN A 508 -5.098 -7.878 0.720 1.00 0.00 O ATOM 21 NE2 GLN A 508 -4.849 -7.332 2.884 1.00 0.00 N ATOM 0 H GLN A 508 -10.260 -8.620 1.885 1.00 0.00 H new ATOM 0 HA GLN A 508 -8.994 -10.054 3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -6.965 -8.468 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -6.860 -9.787 2.976 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -7.549 -8.191 1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -7.505 -6.890 2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -5.293 -7.186 3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -3.842 -7.204 2.783 1.00 0.00 H new ATOM 30 N PRO A 509 -9.902 -8.253 5.422 1.00 0.00 N ATOM 31 CA PRO A 509 -10.539 -7.259 6.283 1.00 0.00 C ATOM 32 C PRO A 509 -9.529 -6.485 7.122 1.00 0.00 C ATOM 33 O PRO A 509 -8.868 -7.044 7.997 1.00 0.00 O ATOM 34 CB PRO A 509 -11.389 -8.140 7.177 1.00 0.00 C ATOM 35 CG PRO A 509 -10.490 -9.294 7.430 1.00 0.00 C ATOM 36 CD PRO A 509 -9.772 -9.545 6.124 1.00 0.00 C ATOM 0 HA PRO A 509 -11.083 -6.497 5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -11.669 -7.633 8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -12.314 -8.445 6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -9.783 -9.072 8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -11.057 -10.172 7.740 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -8.728 -9.815 6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -10.230 -10.358 5.561 1.00 0.00 H new ATOM 44 N LYS A 510 -9.426 -5.198 6.850 1.00 0.00 N ATOM 45 CA LYS A 510 -8.503 -4.324 7.576 1.00 0.00 C ATOM 46 C LYS A 510 -8.989 -2.881 7.560 1.00 0.00 C ATOM 47 O LYS A 510 -9.060 -2.217 8.595 1.00 0.00 O ATOM 48 CB LYS A 510 -7.102 -4.410 6.968 1.00 0.00 C ATOM 49 CG LYS A 510 -6.227 -5.481 7.600 1.00 0.00 C ATOM 50 CD LYS A 510 -4.992 -5.761 6.757 1.00 0.00 C ATOM 51 CE LYS A 510 -4.831 -7.247 6.477 1.00 0.00 C ATOM 52 NZ LYS A 510 -3.970 -7.915 7.492 1.00 0.00 N ATOM 0 H LYS A 510 -9.970 -4.725 6.128 1.00 0.00 H new ATOM 0 HA LYS A 510 -8.464 -4.661 8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -7.190 -4.609 5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -6.610 -3.443 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -5.924 -5.163 8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -6.803 -6.399 7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -5.063 -5.218 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -4.107 -5.389 7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -5.812 -7.722 6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -4.397 -7.385 5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -3.886 -8.926 7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -3.026 -7.479 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -4.396 -7.806 8.434 1.00 0.00 H new ATOM 66 N CYS A 511 -9.318 -2.415 6.368 1.00 0.00 N ATOM 67 CA CYS A 511 -9.806 -1.056 6.148 1.00 0.00 C ATOM 68 C CYS A 511 -8.683 -0.039 6.214 1.00 0.00 C ATOM 69 O CYS A 511 -8.813 1.022 6.824 1.00 0.00 O ATOM 70 CB CYS A 511 -10.931 -0.699 7.122 1.00 0.00 C ATOM 71 SG CYS A 511 -12.596 -0.773 6.378 1.00 0.00 S ATOM 0 H CYS A 511 -9.255 -2.971 5.515 1.00 0.00 H new ATOM 0 HA CYS A 511 -10.218 -1.024 5.139 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -10.892 -1.379 7.973 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -10.760 0.306 7.509 1.00 0.00 H new ATOM 76 N ASN A 512 -7.588 -0.365 5.544 1.00 0.00 N ATOM 77 CA ASN A 512 -6.440 0.521 5.479 1.00 0.00 C ATOM 78 C ASN A 512 -5.953 0.676 4.031 1.00 0.00 C ATOM 79 O ASN A 512 -4.751 0.778 3.784 1.00 0.00 O ATOM 80 CB ASN A 512 -5.312 -0.014 6.370 1.00 0.00 C ATOM 81 CG ASN A 512 -4.061 0.851 6.340 1.00 0.00 C ATOM 82 OD1 ASN A 512 -2.951 0.355 6.528 1.00 0.00 O ATOM 83 ND2 ASN A 512 -4.230 2.150 6.105 1.00 0.00 N ATOM 0 H ASN A 512 -7.472 -1.242 5.036 1.00 0.00 H new ATOM 0 HA ASN A 512 -6.740 1.504 5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -5.672 -0.085 7.396 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -5.055 -1.024 6.052 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -3.422 2.772 6.076 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -5.167 2.523 5.954 1.00 0.00 H new ATOM 90 N PRO A 513 -6.875 0.683 3.038 1.00 0.00 N ATOM 91 CA PRO A 513 -6.507 0.812 1.630 1.00 0.00 C ATOM 92 C PRO A 513 -6.372 2.271 1.163 1.00 0.00 C ATOM 93 O PRO A 513 -5.356 2.915 1.427 1.00 0.00 O ATOM 94 CB PRO A 513 -7.668 0.113 0.931 1.00 0.00 C ATOM 95 CG PRO A 513 -8.849 0.448 1.776 1.00 0.00 C ATOM 96 CD PRO A 513 -8.341 0.548 3.195 1.00 0.00 C ATOM 0 HA PRO A 513 -5.527 0.386 1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -7.793 0.471 -0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -7.510 -0.964 0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.301 1.388 1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -9.618 -0.320 1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -8.768 1.407 3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -8.601 -0.337 3.776 1.00 0.00 H new ATOM 104 N ASN A 514 -7.378 2.779 0.441 1.00 0.00 N ATOM 105 CA ASN A 514 -7.337 4.139 -0.082 1.00 0.00 C ATOM 106 C ASN A 514 -7.798 5.172 0.945 1.00 0.00 C ATOM 107 O ASN A 514 -8.167 6.290 0.585 1.00 0.00 O ATOM 108 CB ASN A 514 -8.189 4.236 -1.352 1.00 0.00 C ATOM 109 CG ASN A 514 -9.680 4.306 -1.064 1.00 0.00 C ATOM 110 OD1 ASN A 514 -10.149 5.198 -0.355 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.434 3.368 -1.619 1.00 0.00 N ATOM 0 H ASN A 514 -8.228 2.265 0.209 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.298 4.366 -0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.892 5.120 -1.916 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.987 3.372 -1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.442 3.367 -1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -10.006 2.647 -2.200 1.00 0.00 H new ATOM 118 N LEU A 515 -7.770 4.807 2.217 1.00 0.00 N ATOM 119 CA LEU A 515 -8.176 5.721 3.274 1.00 0.00 C ATOM 120 C LEU A 515 -6.955 6.297 3.983 1.00 0.00 C ATOM 121 O LEU A 515 -7.034 7.341 4.631 1.00 0.00 O ATOM 122 CB LEU A 515 -9.100 5.008 4.263 1.00 0.00 C ATOM 123 CG LEU A 515 -10.443 4.554 3.677 1.00 0.00 C ATOM 124 CD1 LEU A 515 -10.969 5.581 2.683 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.301 3.192 3.010 1.00 0.00 C ATOM 0 H LEU A 515 -7.472 3.888 2.542 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.726 6.550 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -8.580 4.136 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.293 5.675 5.103 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.161 4.466 4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.922 5.241 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.109 6.537 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.252 5.701 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.263 2.886 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.568 3.255 2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -9.970 2.459 3.746 1.00 0.00 H new ATOM 137 N HIS A 516 -5.822 5.617 3.838 1.00 0.00 N ATOM 138 CA HIS A 516 -4.576 6.062 4.444 1.00 0.00 C ATOM 139 C HIS A 516 -3.439 6.076 3.419 1.00 0.00 C ATOM 140 O HIS A 516 -2.396 6.674 3.658 1.00 0.00 O ATOM 141 CB HIS A 516 -4.201 5.161 5.622 1.00 0.00 C ATOM 142 CG HIS A 516 -3.648 5.911 6.794 1.00 0.00 C ATOM 143 ND1 HIS A 516 -3.712 5.440 8.088 1.00 0.00 N ATOM 144 CD2 HIS A 516 -3.016 7.107 6.863 1.00 0.00 C ATOM 145 CE1 HIS A 516 -3.145 6.312 8.901 1.00 0.00 C ATOM 146 NE2 HIS A 516 -2.714 7.333 8.182 1.00 0.00 N ATOM 0 H HIS A 516 -5.743 4.752 3.303 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.727 7.079 4.807 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.083 4.605 5.940 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -3.466 4.428 5.289 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.791 7.761 6.034 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -3.050 6.208 9.972 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -2.235 8.156 8.548 1.00 0.00 H new ATOM 155 N TYR A 517 -3.650 5.409 2.279 1.00 0.00 N ATOM 156 CA TYR A 517 -2.647 5.334 1.213 1.00 0.00 C ATOM 157 C TYR A 517 -1.889 6.659 1.048 1.00 0.00 C ATOM 158 O TYR A 517 -0.659 6.687 1.062 1.00 0.00 O ATOM 159 CB TYR A 517 -3.320 4.917 -0.102 1.00 0.00 C ATOM 160 CG TYR A 517 -4.166 5.998 -0.742 1.00 0.00 C ATOM 161 CD1 TYR A 517 -5.287 6.507 -0.095 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.847 6.506 -1.995 1.00 0.00 C ATOM 163 CE1 TYR A 517 -6.064 7.490 -0.678 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.618 7.490 -2.584 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.724 7.979 -1.923 1.00 0.00 C ATOM 166 OH TYR A 517 -6.494 8.959 -2.507 1.00 0.00 O ATOM 0 H TYR A 517 -4.515 4.910 2.071 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.910 4.581 1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.549 4.610 -0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.947 4.045 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.555 6.127 0.880 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.982 6.125 -2.518 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.932 7.873 -0.162 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -4.355 7.874 -3.558 1.00 0.00 H new ATOM 0 HH TYR A 517 -6.638 9.687 -1.867 1.00 0.00 H new ATOM 176 N TRP A 518 -2.635 7.751 0.912 1.00 0.00 N ATOM 177 CA TRP A 518 -2.054 9.084 0.767 1.00 0.00 C ATOM 178 C TRP A 518 -1.203 9.436 1.984 1.00 0.00 C ATOM 179 O TRP A 518 -1.676 10.093 2.912 1.00 0.00 O ATOM 180 CB TRP A 518 -3.173 10.117 0.617 1.00 0.00 C ATOM 181 CG TRP A 518 -4.328 9.854 1.538 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.287 9.179 2.725 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.691 10.242 1.345 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.538 9.122 3.280 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.420 9.771 2.455 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.366 10.943 0.345 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.790 9.980 2.588 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.726 11.150 0.478 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.426 10.671 1.592 1.00 0.00 C ATOM 0 H TRP A 518 -3.655 7.739 0.899 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.420 9.091 -0.120 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -2.774 11.111 0.816 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.527 10.116 -0.414 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.397 8.752 3.163 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.775 8.670 4.163 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -5.835 11.317 -0.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.332 9.610 3.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.258 11.691 -0.291 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.488 10.850 1.667 1.00 0.00 H new ATOM 200 N THR A 519 0.047 8.989 1.986 1.00 0.00 N ATOM 201 CA THR A 519 0.945 9.254 3.104 1.00 0.00 C ATOM 202 C THR A 519 2.332 8.692 2.825 1.00 0.00 C ATOM 203 O THR A 519 3.336 9.401 2.902 1.00 0.00 O ATOM 204 CB THR A 519 0.374 8.630 4.374 1.00 0.00 C ATOM 205 OG1 THR A 519 1.241 8.834 5.474 1.00 0.00 O ATOM 206 CG2 THR A 519 0.128 7.144 4.245 1.00 0.00 C ATOM 0 H THR A 519 0.461 8.444 1.230 1.00 0.00 H new ATOM 0 HA THR A 519 1.034 10.332 3.236 1.00 0.00 H new ATOM 0 HB THR A 519 -0.582 9.129 4.537 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.853 8.427 6.276 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.278 6.760 5.181 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.583 6.961 3.439 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.067 6.638 4.022 1.00 0.00 H new ATOM 214 N THR A 520 2.370 7.414 2.480 1.00 0.00 N ATOM 215 CA THR A 520 3.609 6.733 2.156 1.00 0.00 C ATOM 216 C THR A 520 3.503 6.122 0.765 1.00 0.00 C ATOM 217 O THR A 520 4.441 5.495 0.272 1.00 0.00 O ATOM 218 CB THR A 520 3.910 5.646 3.190 1.00 0.00 C ATOM 219 OG1 THR A 520 5.142 5.008 2.903 1.00 0.00 O ATOM 220 CG2 THR A 520 2.844 4.574 3.258 1.00 0.00 C ATOM 0 H THR A 520 1.542 6.822 2.417 1.00 0.00 H new ATOM 0 HA THR A 520 4.426 7.454 2.172 1.00 0.00 H new ATOM 0 HB THR A 520 3.946 6.162 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.338 5.091 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.119 3.835 4.010 1.00 0.00 H new ATOM 0 HG22 THR A 520 1.889 5.027 3.526 1.00 0.00 H new ATOM 0 HG23 THR A 520 2.755 4.087 2.287 1.00 0.00 H new ATOM 228 N GLN A 521 2.344 6.317 0.133 1.00 0.00 N ATOM 229 CA GLN A 521 2.100 5.802 -1.196 1.00 0.00 C ATOM 230 C GLN A 521 2.258 6.917 -2.231 1.00 0.00 C ATOM 231 O GLN A 521 2.731 6.700 -3.346 1.00 0.00 O ATOM 232 CB GLN A 521 0.703 5.169 -1.264 1.00 0.00 C ATOM 233 CG GLN A 521 -0.399 6.141 -1.644 1.00 0.00 C ATOM 234 CD GLN A 521 -0.582 6.246 -3.139 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.820 5.253 -3.822 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.470 7.458 -3.651 1.00 0.00 N ATOM 0 H GLN A 521 1.560 6.833 0.533 1.00 0.00 H new ATOM 0 HA GLN A 521 2.833 5.028 -1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 521 0.720 4.354 -1.988 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.467 4.730 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.336 5.821 -1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.167 7.126 -1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.271 8.252 -3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.582 7.600 -4.655 1.00 0.00 H new ATOM 245 N ASP A 522 1.879 8.118 -1.828 1.00 0.00 N ATOM 246 CA ASP A 522 1.988 9.301 -2.682 1.00 0.00 C ATOM 247 C ASP A 522 3.256 10.080 -2.350 1.00 0.00 C ATOM 248 O ASP A 522 3.546 11.117 -2.947 1.00 0.00 O ATOM 249 CB ASP A 522 0.766 10.206 -2.514 1.00 0.00 C ATOM 250 CG ASP A 522 0.082 10.508 -3.833 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.783 10.568 -4.866 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.154 10.684 -3.834 1.00 0.00 O ATOM 0 H ASP A 522 1.488 8.306 -0.905 1.00 0.00 H new ATOM 0 HA ASP A 522 2.035 8.967 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 522 0.054 9.729 -1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 522 1.072 11.141 -2.045 1.00 0.00 H new ATOM 257 N GLU A 523 3.999 9.559 -1.389 1.00 0.00 N ATOM 258 CA GLU A 523 5.243 10.166 -0.941 1.00 0.00 C ATOM 259 C GLU A 523 6.313 9.094 -0.799 1.00 0.00 C ATOM 260 O GLU A 523 7.509 9.367 -0.892 1.00 0.00 O ATOM 261 CB GLU A 523 5.032 10.888 0.392 1.00 0.00 C ATOM 262 CG GLU A 523 3.599 11.349 0.609 1.00 0.00 C ATOM 263 CD GLU A 523 3.508 12.586 1.480 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.887 13.677 1.003 1.00 0.00 O ATOM 265 OE2 GLU A 523 3.058 12.466 2.639 1.00 0.00 O ATOM 0 H GLU A 523 3.757 8.700 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 523 5.569 10.898 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.319 10.223 1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.695 11.752 0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 523 3.138 11.555 -0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 523 3.028 10.543 1.069 1.00 0.00 H new ATOM 272 N GLY A 524 5.859 7.865 -0.584 1.00 0.00 N ATOM 273 CA GLY A 524 6.756 6.745 -0.449 1.00 0.00 C ATOM 274 C GLY A 524 6.589 5.757 -1.587 1.00 0.00 C ATOM 275 O GLY A 524 7.526 5.040 -1.935 1.00 0.00 O ATOM 0 H GLY A 524 4.870 7.628 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.785 7.103 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.571 6.242 0.500 1.00 0.00 H new ATOM 279 N ALA A 525 5.393 5.732 -2.179 1.00 0.00 N ATOM 280 CA ALA A 525 5.116 4.837 -3.295 1.00 0.00 C ATOM 281 C ALA A 525 5.016 5.620 -4.594 1.00 0.00 C ATOM 282 O ALA A 525 4.383 5.186 -5.556 1.00 0.00 O ATOM 283 CB ALA A 525 3.837 4.052 -3.044 1.00 0.00 C ATOM 0 H ALA A 525 4.607 6.320 -1.903 1.00 0.00 H new ATOM 0 HA ALA A 525 5.941 4.130 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.646 3.389 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 525 3.946 3.461 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 525 3.002 4.743 -2.930 1.00 0.00 H new ATOM 289 N ALA A 526 5.645 6.786 -4.602 1.00 0.00 N ATOM 290 CA ALA A 526 5.639 7.662 -5.769 1.00 0.00 C ATOM 291 C ALA A 526 6.985 8.353 -5.979 1.00 0.00 C ATOM 292 O ALA A 526 7.163 9.098 -6.943 1.00 0.00 O ATOM 293 CB ALA A 526 4.545 8.702 -5.620 1.00 0.00 C ATOM 0 H ALA A 526 6.170 7.151 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 526 5.450 7.042 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 526 4.542 9.355 -6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.579 8.204 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.726 9.295 -4.724 1.00 0.00 H new ATOM 299 N ILE A 527 7.924 8.121 -5.070 1.00 0.00 N ATOM 300 CA ILE A 527 9.237 8.737 -5.152 1.00 0.00 C ATOM 301 C ILE A 527 10.297 7.826 -4.543 1.00 0.00 C ATOM 302 O ILE A 527 11.340 7.576 -5.147 1.00 0.00 O ATOM 303 CB ILE A 527 9.258 10.094 -4.419 1.00 0.00 C ATOM 304 CG1 ILE A 527 8.094 10.179 -3.416 1.00 0.00 C ATOM 305 CG2 ILE A 527 9.211 11.241 -5.421 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.823 10.784 -3.979 1.00 0.00 C ATOM 0 H ILE A 527 7.797 7.507 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 527 9.458 8.898 -6.207 1.00 0.00 H new ATOM 0 HB ILE A 527 10.190 10.178 -3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.873 9.177 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 527 8.413 10.769 -2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 527 9.226 12.191 -4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 527 10.075 11.182 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 527 8.297 11.171 -6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 527 6.056 10.805 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 527 7.023 11.800 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.475 10.183 -4.819 1.00 0.00 H new ATOM 318 N GLY A 528 10.018 7.330 -3.341 1.00 0.00 N ATOM 319 CA GLY A 528 10.953 6.448 -2.670 1.00 0.00 C ATOM 320 C GLY A 528 11.084 5.113 -3.370 1.00 0.00 C ATOM 321 O GLY A 528 11.942 4.943 -4.235 1.00 0.00 O ATOM 0 H GLY A 528 9.162 7.524 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.931 6.928 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.625 6.287 -1.643 1.00 0.00 H new ATOM 325 N LEU A 529 10.231 4.162 -3.001 1.00 0.00 N ATOM 326 CA LEU A 529 10.269 2.842 -3.614 1.00 0.00 C ATOM 327 C LEU A 529 8.865 2.317 -3.901 1.00 0.00 C ATOM 328 O LEU A 529 7.878 3.033 -3.735 1.00 0.00 O ATOM 329 CB LEU A 529 11.032 1.861 -2.722 1.00 0.00 C ATOM 330 CG LEU A 529 12.427 1.487 -3.228 1.00 0.00 C ATOM 331 CD1 LEU A 529 13.363 2.682 -3.142 1.00 0.00 C ATOM 332 CD2 LEU A 529 12.983 0.314 -2.437 1.00 0.00 C ATOM 0 H LEU A 529 9.512 4.280 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 529 10.791 2.934 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 529 11.126 2.294 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 529 10.442 0.950 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 529 12.347 1.189 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 529 14.350 2.398 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 529 12.972 3.495 -3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 529 13.439 3.011 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 529 13.976 0.061 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 529 13.049 0.585 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 529 12.323 -0.546 -2.550 1.00 0.00 H new ATOM 344 N ALA A 530 8.807 1.063 -4.354 1.00 0.00 N ATOM 345 CA ALA A 530 7.556 0.377 -4.712 1.00 0.00 C ATOM 346 C ALA A 530 7.752 -0.379 -6.017 1.00 0.00 C ATOM 347 O ALA A 530 7.141 -1.420 -6.256 1.00 0.00 O ATOM 348 CB ALA A 530 6.393 1.350 -4.853 1.00 0.00 C ATOM 0 H ALA A 530 9.637 0.485 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 530 7.310 -0.315 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.489 0.801 -5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.237 1.870 -3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.619 2.076 -5.634 1.00 0.00 H new ATOM 354 N TRP A 531 8.627 0.168 -6.849 1.00 0.00 N ATOM 355 CA TRP A 531 8.957 -0.414 -8.146 1.00 0.00 C ATOM 356 C TRP A 531 9.800 -1.677 -7.968 1.00 0.00 C ATOM 357 O TRP A 531 9.973 -2.455 -8.905 1.00 0.00 O ATOM 358 CB TRP A 531 9.721 0.610 -9.002 1.00 0.00 C ATOM 359 CG TRP A 531 10.250 1.761 -8.205 1.00 0.00 C ATOM 360 CD1 TRP A 531 11.412 1.798 -7.492 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.616 3.030 -8.008 1.00 0.00 C ATOM 362 NE1 TRP A 531 11.540 3.011 -6.863 1.00 0.00 N ATOM 363 CE2 TRP A 531 10.452 3.788 -7.168 1.00 0.00 C ATOM 364 CE3 TRP A 531 8.424 3.600 -8.464 1.00 0.00 C ATOM 365 CZ2 TRP A 531 10.133 5.086 -6.774 1.00 0.00 C ATOM 366 CZ3 TRP A 531 8.107 4.887 -8.072 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.959 5.619 -7.234 1.00 0.00 C ATOM 0 H TRP A 531 9.131 1.031 -6.644 1.00 0.00 H new ATOM 0 HA TRP A 531 8.030 -0.683 -8.652 1.00 0.00 H new ATOM 0 HB2 TRP A 531 10.550 0.110 -9.502 1.00 0.00 H new ATOM 0 HB3 TRP A 531 9.060 0.989 -9.782 1.00 0.00 H new ATOM 0 HD1 TRP A 531 12.127 0.991 -7.431 1.00 0.00 H new ATOM 0 HE1 TRP A 531 12.318 3.289 -6.265 1.00 0.00 H new ATOM 0 HE3 TRP A 531 7.762 3.044 -9.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.789 5.651 -6.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 7.187 5.336 -8.417 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.684 6.623 -6.946 1.00 0.00 H new ATOM 378 N ILE A 532 10.320 -1.871 -6.757 1.00 0.00 N ATOM 379 CA ILE A 532 11.143 -3.039 -6.458 1.00 0.00 C ATOM 380 C ILE A 532 10.281 -4.201 -5.955 1.00 0.00 C ATOM 381 O ILE A 532 9.428 -4.018 -5.086 1.00 0.00 O ATOM 382 CB ILE A 532 12.249 -2.712 -5.424 1.00 0.00 C ATOM 383 CG1 ILE A 532 11.691 -2.656 -3.997 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.934 -1.396 -5.772 1.00 0.00 C ATOM 385 CD1 ILE A 532 10.755 -1.493 -3.754 1.00 0.00 C ATOM 0 H ILE A 532 10.186 -1.236 -5.970 1.00 0.00 H new ATOM 0 HA ILE A 532 11.628 -3.336 -7.388 1.00 0.00 H new ATOM 0 HB ILE A 532 12.983 -3.517 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 532 11.163 -3.586 -3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 532 12.522 -2.595 -3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.708 -1.183 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.386 -1.471 -6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.199 -0.591 -5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 532 10.401 -1.520 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 532 11.284 -0.557 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 532 9.904 -1.563 -4.432 1.00 0.00 H new ATOM 397 N PRO A 533 10.480 -5.413 -6.506 1.00 0.00 N ATOM 398 CA PRO A 533 9.709 -6.597 -6.122 1.00 0.00 C ATOM 399 C PRO A 533 10.282 -7.341 -4.914 1.00 0.00 C ATOM 400 O PRO A 533 10.121 -8.556 -4.800 1.00 0.00 O ATOM 401 CB PRO A 533 9.808 -7.465 -7.371 1.00 0.00 C ATOM 402 CG PRO A 533 11.158 -7.161 -7.928 1.00 0.00 C ATOM 403 CD PRO A 533 11.460 -5.726 -7.565 1.00 0.00 C ATOM 0 HA PRO A 533 8.696 -6.338 -5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 533 9.707 -8.523 -7.129 1.00 0.00 H new ATOM 0 HB3 PRO A 533 9.020 -7.225 -8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 533 11.909 -7.832 -7.512 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.171 -7.298 -9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.484 -5.611 -7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.345 -5.064 -8.424 1.00 0.00 H new ATOM 411 N TYR A 534 10.947 -6.622 -4.014 1.00 0.00 N ATOM 412 CA TYR A 534 11.528 -7.252 -2.829 1.00 0.00 C ATOM 413 C TYR A 534 11.238 -6.456 -1.555 1.00 0.00 C ATOM 414 O TYR A 534 11.724 -6.805 -0.478 1.00 0.00 O ATOM 415 CB TYR A 534 13.038 -7.443 -3.000 1.00 0.00 C ATOM 416 CG TYR A 534 13.773 -6.212 -3.480 1.00 0.00 C ATOM 417 CD1 TYR A 534 14.008 -5.143 -2.625 1.00 0.00 C ATOM 418 CD2 TYR A 534 14.241 -6.123 -4.785 1.00 0.00 C ATOM 419 CE1 TYR A 534 14.687 -4.021 -3.057 1.00 0.00 C ATOM 420 CE2 TYR A 534 14.920 -5.003 -5.225 1.00 0.00 C ATOM 421 CZ TYR A 534 15.141 -3.955 -4.357 1.00 0.00 C ATOM 422 OH TYR A 534 15.818 -2.838 -4.790 1.00 0.00 O ATOM 0 H TYR A 534 11.097 -5.615 -4.079 1.00 0.00 H new ATOM 0 HA TYR A 534 11.056 -8.229 -2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 534 13.463 -7.756 -2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 534 13.212 -8.254 -3.707 1.00 0.00 H new ATOM 0 HD1 TYR A 534 13.654 -5.190 -1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 534 14.071 -6.943 -5.467 1.00 0.00 H new ATOM 0 HE1 TYR A 534 14.862 -3.198 -2.379 1.00 0.00 H new ATOM 0 HE2 TYR A 534 15.276 -4.949 -6.243 1.00 0.00 H new ATOM 0 HH TYR A 534 16.070 -2.952 -5.730 1.00 0.00 H new ATOM 432 N PHE A 535 10.447 -5.392 -1.672 1.00 0.00 N ATOM 433 CA PHE A 535 10.106 -4.563 -0.517 1.00 0.00 C ATOM 434 C PHE A 535 8.791 -5.013 0.121 1.00 0.00 C ATOM 435 O PHE A 535 8.151 -4.245 0.838 1.00 0.00 O ATOM 436 CB PHE A 535 10.008 -3.094 -0.929 1.00 0.00 C ATOM 437 CG PHE A 535 11.177 -2.265 -0.478 1.00 0.00 C ATOM 438 CD1 PHE A 535 12.464 -2.594 -0.867 1.00 0.00 C ATOM 439 CD2 PHE A 535 10.987 -1.157 0.331 1.00 0.00 C ATOM 440 CE1 PHE A 535 13.543 -1.833 -0.458 1.00 0.00 C ATOM 441 CE2 PHE A 535 12.062 -0.393 0.745 1.00 0.00 C ATOM 442 CZ PHE A 535 13.342 -0.731 0.349 1.00 0.00 C ATOM 0 H PHE A 535 10.031 -5.084 -2.551 1.00 0.00 H new ATOM 0 HA PHE A 535 10.900 -4.677 0.221 1.00 0.00 H new ATOM 0 HB2 PHE A 535 9.928 -3.034 -2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 535 9.092 -2.670 -0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 535 12.627 -3.456 -1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 535 9.988 -0.887 0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 535 14.542 -2.100 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 535 11.902 0.468 1.378 1.00 0.00 H new ATOM 0 HZ PHE A 535 14.183 -0.135 0.670 1.00 0.00 H new ATOM 452 N GLY A 536 8.390 -6.252 -0.145 1.00 0.00 N ATOM 453 CA GLY A 536 7.150 -6.767 0.414 1.00 0.00 C ATOM 454 C GLY A 536 7.081 -6.631 1.927 1.00 0.00 C ATOM 455 O GLY A 536 6.817 -5.543 2.440 1.00 0.00 O ATOM 0 H GLY A 536 8.899 -6.909 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 536 6.309 -6.237 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 536 7.044 -7.818 0.144 1.00 0.00 H new ATOM 459 N PRO A 537 7.311 -7.726 2.675 1.00 0.00 N ATOM 460 CA PRO A 537 7.266 -7.706 4.142 1.00 0.00 C ATOM 461 C PRO A 537 8.518 -7.092 4.764 1.00 0.00 C ATOM 462 O PRO A 537 8.615 -6.963 5.986 1.00 0.00 O ATOM 463 CB PRO A 537 7.163 -9.186 4.501 1.00 0.00 C ATOM 464 CG PRO A 537 7.869 -9.889 3.394 1.00 0.00 C ATOM 465 CD PRO A 537 7.627 -9.070 2.153 1.00 0.00 C ATOM 0 HA PRO A 537 6.444 -7.096 4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 537 7.629 -9.394 5.464 1.00 0.00 H new ATOM 0 HB3 PRO A 537 6.123 -9.505 4.574 1.00 0.00 H new ATOM 0 HG2 PRO A 537 8.935 -9.972 3.603 1.00 0.00 H new ATOM 0 HG3 PRO A 537 7.488 -10.903 3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 537 8.505 -9.052 1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 537 6.805 -9.473 1.562 1.00 0.00 H new ATOM 473 N ALA A 538 9.478 -6.721 3.923 1.00 0.00 N ATOM 474 CA ALA A 538 10.725 -6.129 4.397 1.00 0.00 C ATOM 475 C ALA A 538 10.552 -4.647 4.718 1.00 0.00 C ATOM 476 O ALA A 538 11.254 -4.102 5.570 1.00 0.00 O ATOM 477 CB ALA A 538 11.824 -6.320 3.362 1.00 0.00 C ATOM 0 H ALA A 538 9.417 -6.820 2.910 1.00 0.00 H new ATOM 0 HA ALA A 538 11.009 -6.639 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 538 12.749 -5.874 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 538 11.978 -7.385 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 538 11.533 -5.838 2.429 1.00 0.00 H new ATOM 483 N ALA A 539 9.616 -4.001 4.033 1.00 0.00 N ATOM 484 CA ALA A 539 9.355 -2.583 4.249 1.00 0.00 C ATOM 485 C ALA A 539 8.153 -2.371 5.163 1.00 0.00 C ATOM 486 O ALA A 539 7.925 -1.270 5.665 1.00 0.00 O ATOM 487 CB ALA A 539 9.119 -1.891 2.920 1.00 0.00 C ATOM 0 H ALA A 539 9.026 -4.436 3.324 1.00 0.00 H new ATOM 0 HA ALA A 539 10.230 -2.151 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 539 8.925 -0.832 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 539 10.002 -2.001 2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 539 8.260 -2.342 2.422 1.00 0.00 H new ATOM 493 N GLU A 540 7.382 -3.434 5.358 1.00 0.00 N ATOM 494 CA GLU A 540 6.184 -3.395 6.189 1.00 0.00 C ATOM 495 C GLU A 540 6.377 -2.578 7.473 1.00 0.00 C ATOM 496 O GLU A 540 7.025 -3.022 8.420 1.00 0.00 O ATOM 497 CB GLU A 540 5.752 -4.827 6.513 1.00 0.00 C ATOM 498 CG GLU A 540 6.585 -5.505 7.590 1.00 0.00 C ATOM 499 CD GLU A 540 6.410 -7.011 7.601 1.00 0.00 C ATOM 500 OE1 GLU A 540 5.323 -7.485 7.206 1.00 0.00 O ATOM 501 OE2 GLU A 540 7.359 -7.717 8.003 1.00 0.00 O ATOM 0 H GLU A 540 7.569 -4.347 4.945 1.00 0.00 H new ATOM 0 HA GLU A 540 5.401 -2.889 5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 540 4.709 -4.816 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 540 5.802 -5.424 5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 540 7.637 -5.266 7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 540 6.308 -5.104 8.565 1.00 0.00 H new ATOM 508 N GLY A 541 5.778 -1.387 7.498 1.00 0.00 N ATOM 509 CA GLY A 541 5.858 -0.532 8.669 1.00 0.00 C ATOM 510 C GLY A 541 6.850 0.609 8.547 1.00 0.00 C ATOM 511 O GLY A 541 6.909 1.472 9.424 1.00 0.00 O ATOM 0 H GLY A 541 5.238 -1.000 6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.870 -0.118 8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 541 6.129 -1.142 9.531 1.00 0.00 H new ATOM 515 N ILE A 542 7.632 0.627 7.478 1.00 0.00 N ATOM 516 CA ILE A 542 8.613 1.688 7.289 1.00 0.00 C ATOM 517 C ILE A 542 8.121 2.724 6.292 1.00 0.00 C ATOM 518 O ILE A 542 8.398 3.915 6.433 1.00 0.00 O ATOM 519 CB ILE A 542 9.964 1.133 6.810 1.00 0.00 C ATOM 520 CG1 ILE A 542 10.346 -0.104 7.621 1.00 0.00 C ATOM 521 CG2 ILE A 542 11.044 2.201 6.916 1.00 0.00 C ATOM 522 CD1 ILE A 542 10.872 -1.229 6.768 1.00 0.00 C ATOM 0 H ILE A 542 7.609 -0.072 6.735 1.00 0.00 H new ATOM 0 HA ILE A 542 8.750 2.161 8.262 1.00 0.00 H new ATOM 0 HB ILE A 542 9.872 0.843 5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 542 11.102 0.170 8.357 1.00 0.00 H new ATOM 0 HG13 ILE A 542 9.474 -0.452 8.174 1.00 0.00 H new ATOM 0 HG21 ILE A 542 11.995 1.792 6.573 1.00 0.00 H new ATOM 0 HG22 ILE A 542 10.772 3.056 6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 542 11.139 2.520 7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 542 11.126 -2.078 7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 542 10.109 -1.528 6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 542 11.762 -0.896 6.235 1.00 0.00 H new ATOM 534 N TYR A 543 7.385 2.269 5.284 1.00 0.00 N ATOM 535 CA TYR A 543 6.856 3.180 4.266 1.00 0.00 C ATOM 536 C TYR A 543 6.047 2.439 3.194 1.00 0.00 C ATOM 537 O TYR A 543 4.880 2.115 3.408 1.00 0.00 O ATOM 538 CB TYR A 543 7.990 3.998 3.622 1.00 0.00 C ATOM 539 CG TYR A 543 9.342 3.313 3.638 1.00 0.00 C ATOM 540 CD1 TYR A 543 9.458 1.946 3.420 1.00 0.00 C ATOM 541 CD2 TYR A 543 10.503 4.040 3.874 1.00 0.00 C ATOM 542 CE1 TYR A 543 10.692 1.323 3.435 1.00 0.00 C ATOM 543 CE2 TYR A 543 11.739 3.424 3.891 1.00 0.00 C ATOM 544 CZ TYR A 543 11.828 2.067 3.671 1.00 0.00 C ATOM 545 OH TYR A 543 13.058 1.450 3.688 1.00 0.00 O ATOM 0 H TYR A 543 7.141 1.288 5.147 1.00 0.00 H new ATOM 0 HA TYR A 543 6.175 3.865 4.770 1.00 0.00 H new ATOM 0 HB2 TYR A 543 7.721 4.220 2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 543 8.074 4.953 4.142 1.00 0.00 H new ATOM 0 HD1 TYR A 543 8.570 1.360 3.236 1.00 0.00 H new ATOM 0 HD2 TYR A 543 10.437 5.104 4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 543 10.765 0.259 3.263 1.00 0.00 H new ATOM 0 HE2 TYR A 543 12.631 4.003 4.076 1.00 0.00 H new ATOM 0 HH TYR A 543 13.118 0.820 2.940 1.00 0.00 H new ATOM 555 N ILE A 544 6.661 2.187 2.035 1.00 0.00 N ATOM 556 CA ILE A 544 5.978 1.506 0.940 1.00 0.00 C ATOM 557 C ILE A 544 5.441 0.149 1.383 1.00 0.00 C ATOM 558 O ILE A 544 4.233 -0.033 1.535 1.00 0.00 O ATOM 559 CB ILE A 544 6.908 1.318 -0.274 1.00 0.00 C ATOM 560 CG1 ILE A 544 7.716 2.594 -0.528 1.00 0.00 C ATOM 561 CG2 ILE A 544 6.094 0.947 -1.501 1.00 0.00 C ATOM 562 CD1 ILE A 544 9.189 2.447 -0.211 1.00 0.00 C ATOM 0 H ILE A 544 7.627 2.445 1.834 1.00 0.00 H new ATOM 0 HA ILE A 544 5.141 2.140 0.646 1.00 0.00 H new ATOM 0 HB ILE A 544 7.606 0.508 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 544 7.604 2.884 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 544 7.302 3.403 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 544 6.760 0.816 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 544 5.557 0.017 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 544 5.379 1.741 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 544 9.700 3.388 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 544 9.311 2.187 0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 544 9.618 1.660 -0.831 1.00 0.00 H new ATOM 574 N GLU A 545 6.346 -0.794 1.618 1.00 0.00 N ATOM 575 CA GLU A 545 5.971 -2.131 2.075 1.00 0.00 C ATOM 576 C GLU A 545 5.474 -3.016 0.932 1.00 0.00 C ATOM 577 O GLU A 545 4.586 -3.846 1.125 1.00 0.00 O ATOM 578 CB GLU A 545 4.906 -2.048 3.173 1.00 0.00 C ATOM 579 CG GLU A 545 5.144 -0.930 4.181 1.00 0.00 C ATOM 580 CD GLU A 545 3.863 -0.477 4.855 1.00 0.00 C ATOM 581 OE1 GLU A 545 2.988 -1.332 5.102 1.00 0.00 O ATOM 582 OE2 GLU A 545 3.737 0.734 5.137 1.00 0.00 O ATOM 0 H GLU A 545 7.350 -0.658 1.499 1.00 0.00 H new ATOM 0 HA GLU A 545 6.872 -2.591 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 545 3.930 -1.904 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 545 4.869 -3.000 3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 545 5.849 -1.272 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 545 5.605 -0.081 3.676 1.00 0.00 H new ATOM 589 N GLY A 546 6.055 -2.847 -0.251 1.00 0.00 N ATOM 590 CA GLY A 546 5.655 -3.653 -1.393 1.00 0.00 C ATOM 591 C GLY A 546 4.287 -3.289 -1.906 1.00 0.00 C ATOM 592 O GLY A 546 3.523 -4.150 -2.342 1.00 0.00 O ATOM 0 H GLY A 546 6.793 -2.169 -0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.384 -3.530 -2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.666 -4.706 -1.112 1.00 0.00 H new ATOM 596 N LEU A 547 3.983 -2.006 -1.861 1.00 0.00 N ATOM 597 CA LEU A 547 2.706 -1.510 -2.331 1.00 0.00 C ATOM 598 C LEU A 547 2.867 -0.843 -3.691 1.00 0.00 C ATOM 599 O LEU A 547 3.672 0.074 -3.862 1.00 0.00 O ATOM 600 CB LEU A 547 2.121 -0.521 -1.325 1.00 0.00 C ATOM 601 CG LEU A 547 2.571 0.921 -1.527 1.00 0.00 C ATOM 602 CD1 LEU A 547 1.657 1.629 -2.514 1.00 0.00 C ATOM 603 CD2 LEU A 547 2.622 1.654 -0.199 1.00 0.00 C ATOM 0 H LEU A 547 4.608 -1.285 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 547 2.021 -2.352 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.033 -0.561 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.397 -0.838 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 547 3.578 0.918 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 547 1.992 2.658 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 547 1.686 1.111 -3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.636 1.627 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 547 2.945 2.682 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.631 1.653 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.326 1.154 0.466 1.00 0.00 H new ATOM 615 N MET A 548 2.104 -1.314 -4.652 1.00 0.00 N ATOM 616 CA MET A 548 2.151 -0.770 -6.003 1.00 0.00 C ATOM 617 C MET A 548 0.752 -0.565 -6.578 1.00 0.00 C ATOM 618 O MET A 548 0.601 -0.126 -7.719 1.00 0.00 O ATOM 619 CB MET A 548 2.957 -1.690 -6.910 1.00 0.00 C ATOM 620 CG MET A 548 4.361 -1.956 -6.394 1.00 0.00 C ATOM 621 SD MET A 548 4.713 -3.714 -6.215 1.00 0.00 S ATOM 622 CE MET A 548 3.417 -4.193 -5.075 1.00 0.00 C ATOM 0 H MET A 548 1.438 -2.077 -4.528 1.00 0.00 H new ATOM 0 HA MET A 548 2.636 0.205 -5.951 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.430 -2.638 -7.016 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.020 -1.247 -7.904 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.085 -1.512 -7.077 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.489 -1.464 -5.430 1.00 0.00 H new ATOM 0 HE1 MET A 548 3.712 -5.102 -4.550 1.00 0.00 H new ATOM 0 HE2 MET A 548 3.254 -3.393 -4.353 1.00 0.00 H new ATOM 0 HE3 MET A 548 2.496 -4.376 -5.628 1.00 0.00 H new ATOM 632 N HIS A 549 -0.269 -0.869 -5.784 1.00 0.00 N ATOM 633 CA HIS A 549 -1.648 -0.702 -6.221 1.00 0.00 C ATOM 634 C HIS A 549 -2.192 0.651 -5.770 1.00 0.00 C ATOM 635 O HIS A 549 -3.268 1.069 -6.198 1.00 0.00 O ATOM 636 CB HIS A 549 -2.526 -1.828 -5.667 1.00 0.00 C ATOM 637 CG HIS A 549 -1.868 -3.174 -5.692 1.00 0.00 C ATOM 638 ND1 HIS A 549 -1.483 -3.844 -4.550 1.00 0.00 N ATOM 639 CD2 HIS A 549 -1.530 -3.977 -6.729 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.936 -5.000 -4.883 1.00 0.00 C ATOM 641 NE2 HIS A 549 -0.954 -5.106 -6.199 1.00 0.00 N ATOM 0 H HIS A 549 -0.167 -1.232 -4.836 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.668 -0.744 -7.310 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.804 -1.588 -4.641 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -3.449 -1.874 -6.245 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -1.685 -3.769 -7.777 1.00 0.00 H new ATOM 0 HE1 HIS A 549 -0.541 -5.733 -4.195 1.00 0.00 H new ATOM 0 HE2 HIS A 549 -0.598 -5.897 -6.735 1.00 0.00 H new ATOM 650 N ASN A 550 -1.442 1.327 -4.895 1.00 0.00 N ATOM 651 CA ASN A 550 -1.843 2.635 -4.373 1.00 0.00 C ATOM 652 C ASN A 550 -3.057 2.525 -3.447 1.00 0.00 C ATOM 653 O ASN A 550 -3.470 3.514 -2.841 1.00 0.00 O ATOM 654 CB ASN A 550 -2.145 3.606 -5.521 1.00 0.00 C ATOM 655 CG ASN A 550 -0.895 4.023 -6.275 1.00 0.00 C ATOM 656 OD1 ASN A 550 -0.509 5.191 -6.261 1.00 0.00 O ATOM 657 ND2 ASN A 550 -0.257 3.068 -6.943 1.00 0.00 N ATOM 0 H ASN A 550 -0.551 0.988 -4.533 1.00 0.00 H new ATOM 0 HA ASN A 550 -1.008 3.022 -3.790 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.844 3.138 -6.214 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -2.637 4.493 -5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 550 0.587 3.291 -7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -0.611 2.112 -6.928 1.00 0.00 H new ATOM 664 N GLN A 551 -3.621 1.322 -3.328 1.00 0.00 N ATOM 665 CA GLN A 551 -4.771 1.097 -2.469 1.00 0.00 C ATOM 666 C GLN A 551 -6.023 1.759 -3.019 1.00 0.00 C ATOM 667 O GLN A 551 -6.067 2.967 -3.247 1.00 0.00 O ATOM 668 CB GLN A 551 -4.487 1.588 -1.056 1.00 0.00 C ATOM 669 CG GLN A 551 -3.135 1.145 -0.532 1.00 0.00 C ATOM 670 CD GLN A 551 -2.996 1.339 0.965 1.00 0.00 C ATOM 671 OE1 GLN A 551 -2.891 2.466 1.449 1.00 0.00 O ATOM 672 NE2 GLN A 551 -2.997 0.237 1.708 1.00 0.00 N ATOM 0 H GLN A 551 -3.295 0.490 -3.820 1.00 0.00 H new ATOM 0 HA GLN A 551 -4.952 0.023 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.537 2.677 -1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.266 1.223 -0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -2.983 0.093 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.351 1.705 -1.041 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.086 -0.677 1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -2.908 0.305 2.722 1.00 0.00 H new ATOM 681 N ASP A 552 -7.037 0.936 -3.224 1.00 0.00 N ATOM 682 CA ASP A 552 -8.320 1.390 -3.747 1.00 0.00 C ATOM 683 C ASP A 552 -9.458 0.505 -3.237 1.00 0.00 C ATOM 684 O ASP A 552 -10.172 -0.118 -4.022 1.00 0.00 O ATOM 685 CB ASP A 552 -8.299 1.386 -5.278 1.00 0.00 C ATOM 686 CG ASP A 552 -7.736 0.098 -5.846 1.00 0.00 C ATOM 687 OD1 ASP A 552 -7.662 -0.899 -5.098 1.00 0.00 O ATOM 688 OD2 ASP A 552 -7.369 0.087 -7.040 1.00 0.00 O ATOM 0 H ASP A 552 -6.997 -0.065 -3.034 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.490 2.408 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -9.312 1.533 -5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -7.703 2.227 -5.632 1.00 0.00 H new ATOM 693 N GLY A 553 -9.621 0.452 -1.915 1.00 0.00 N ATOM 694 CA GLY A 553 -10.671 -0.361 -1.331 1.00 0.00 C ATOM 695 C GLY A 553 -10.408 -1.844 -1.499 1.00 0.00 C ATOM 696 O GLY A 553 -11.236 -2.571 -2.047 1.00 0.00 O ATOM 0 H GLY A 553 -9.045 0.957 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -10.761 -0.128 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.624 -0.108 -1.795 1.00 0.00 H new ATOM 700 N LEU A 554 -9.248 -2.290 -1.030 1.00 0.00 N ATOM 701 CA LEU A 554 -8.869 -3.694 -1.134 1.00 0.00 C ATOM 702 C LEU A 554 -8.883 -4.372 0.231 1.00 0.00 C ATOM 703 O LEU A 554 -9.106 -5.579 0.333 1.00 0.00 O ATOM 704 CB LEU A 554 -7.480 -3.813 -1.761 1.00 0.00 C ATOM 705 CG LEU A 554 -7.291 -3.035 -3.066 1.00 0.00 C ATOM 706 CD1 LEU A 554 -5.966 -3.399 -3.718 1.00 0.00 C ATOM 707 CD2 LEU A 554 -8.447 -3.300 -4.021 1.00 0.00 C ATOM 0 H LEU A 554 -8.553 -1.699 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.599 -4.196 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -6.741 -3.467 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -7.272 -4.866 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.278 -1.971 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.849 -2.836 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.148 -3.156 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -5.950 -4.466 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -8.294 -2.738 -4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.494 -4.365 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -9.382 -2.987 -3.556 1.00 0.00 H new ATOM 719 N ILE A 555 -8.640 -3.592 1.277 1.00 0.00 N ATOM 720 CA ILE A 555 -8.622 -4.123 2.637 1.00 0.00 C ATOM 721 C ILE A 555 -9.822 -3.632 3.442 1.00 0.00 C ATOM 722 O ILE A 555 -10.166 -4.215 4.470 1.00 0.00 O ATOM 723 CB ILE A 555 -7.318 -3.756 3.393 1.00 0.00 C ATOM 724 CG1 ILE A 555 -6.571 -2.614 2.694 1.00 0.00 C ATOM 725 CG2 ILE A 555 -6.419 -4.977 3.525 1.00 0.00 C ATOM 726 CD1 ILE A 555 -5.891 -3.026 1.403 1.00 0.00 C ATOM 0 H ILE A 555 -8.453 -2.591 1.211 1.00 0.00 H new ATOM 0 HA ILE A 555 -8.671 -5.207 2.539 1.00 0.00 H new ATOM 0 HB ILE A 555 -7.594 -3.414 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -7.274 -1.809 2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -5.822 -2.212 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -5.508 -4.703 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -6.943 -5.756 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -6.161 -5.348 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -5.384 -2.165 0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -5.162 -3.810 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -6.637 -3.400 0.702 1.00 0.00 H new ATOM 738 N CYS A 556 -10.460 -2.558 2.977 1.00 0.00 N ATOM 739 CA CYS A 556 -11.622 -2.003 3.671 1.00 0.00 C ATOM 740 C CYS A 556 -12.909 -2.689 3.231 1.00 0.00 C ATOM 741 O CYS A 556 -14.004 -2.159 3.421 1.00 0.00 O ATOM 742 CB CYS A 556 -11.715 -0.492 3.425 1.00 0.00 C ATOM 743 SG CYS A 556 -12.490 0.478 4.774 1.00 0.00 S ATOM 0 H CYS A 556 -10.194 -2.058 2.129 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.494 -2.183 4.738 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -10.710 -0.106 3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.281 -0.324 2.509 1.00 0.00 H new ATOM 748 N GLY A 557 -12.767 -3.869 2.647 1.00 0.00 N ATOM 749 CA GLY A 557 -13.904 -4.618 2.191 1.00 0.00 C ATOM 750 C GLY A 557 -13.461 -5.810 1.386 1.00 0.00 C ATOM 751 O GLY A 557 -12.626 -6.593 1.834 1.00 0.00 O ATOM 0 H GLY A 557 -11.868 -4.321 2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -14.496 -4.948 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -14.547 -3.981 1.584 1.00 0.00 H new ATOM 755 N LEU A 558 -14.003 -5.935 0.194 1.00 0.00 N ATOM 756 CA LEU A 558 -13.654 -7.036 -0.689 1.00 0.00 C ATOM 757 C LEU A 558 -13.849 -6.630 -2.146 1.00 0.00 C ATOM 758 O LEU A 558 -13.053 -6.990 -3.014 1.00 0.00 O ATOM 759 CB LEU A 558 -14.498 -8.269 -0.358 1.00 0.00 C ATOM 760 CG LEU A 558 -15.068 -8.319 1.067 1.00 0.00 C ATOM 761 CD1 LEU A 558 -16.261 -9.257 1.129 1.00 0.00 C ATOM 762 CD2 LEU A 558 -13.995 -8.747 2.063 1.00 0.00 C ATOM 0 H LEU A 558 -14.690 -5.287 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 558 -12.604 -7.285 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -15.327 -8.320 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -13.888 -9.158 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 558 -15.403 -7.318 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -16.653 -9.281 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -17.037 -8.904 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -15.951 -10.260 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -14.420 -8.776 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -13.626 -9.737 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -13.171 -8.034 2.039 1.00 0.00 H new ATOM 774 N ARG A 559 -14.910 -5.870 -2.403 1.00 0.00 N ATOM 775 CA ARG A 559 -15.210 -5.401 -3.749 1.00 0.00 C ATOM 776 C ARG A 559 -15.570 -3.917 -3.730 1.00 0.00 C ATOM 777 O ARG A 559 -16.504 -3.484 -4.403 1.00 0.00 O ATOM 778 CB ARG A 559 -16.360 -6.210 -4.355 1.00 0.00 C ATOM 779 CG ARG A 559 -17.448 -6.573 -3.356 1.00 0.00 C ATOM 780 CD ARG A 559 -18.768 -6.866 -4.050 1.00 0.00 C ATOM 781 NE ARG A 559 -18.838 -8.243 -4.534 1.00 0.00 N ATOM 782 CZ ARG A 559 -19.973 -8.855 -4.867 1.00 0.00 C ATOM 783 NH1 ARG A 559 -21.132 -8.216 -4.772 1.00 0.00 N ATOM 784 NH2 ARG A 559 -19.948 -10.109 -5.297 1.00 0.00 N ATOM 0 H ARG A 559 -15.577 -5.566 -1.694 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.321 -5.539 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -16.804 -5.638 -5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -15.958 -7.125 -4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -17.138 -7.445 -2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -17.582 -5.754 -2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -19.590 -6.683 -3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -18.897 -6.180 -4.887 1.00 0.00 H new ATOM 0 HE ARG A 559 -17.967 -8.766 -4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -21.157 -7.251 -4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -21.998 -8.690 -5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -19.060 -10.605 -5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -20.817 -10.578 -5.552 1.00 0.00 H new ATOM 798 N GLN A 560 -14.819 -3.142 -2.947 1.00 0.00 N ATOM 799 CA GLN A 560 -15.055 -1.704 -2.829 1.00 0.00 C ATOM 800 C GLN A 560 -15.249 -1.064 -4.202 1.00 0.00 C ATOM 801 O GLN A 560 -16.179 -0.242 -4.345 1.00 0.00 O ATOM 802 CB GLN A 560 -13.886 -1.021 -2.104 1.00 0.00 C ATOM 803 CG GLN A 560 -13.752 -1.390 -0.628 1.00 0.00 C ATOM 804 CD GLN A 560 -15.088 -1.635 0.052 1.00 0.00 C ATOM 805 OE1 GLN A 560 -15.622 -0.757 0.732 1.00 0.00 O ATOM 806 NE2 GLN A 560 -15.630 -2.833 -0.129 1.00 0.00 N ATOM 807 OXT GLN A 560 -14.469 -1.390 -5.121 1.00 0.00 O ATOM 0 H GLN A 560 -14.041 -3.487 -2.385 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.967 -1.567 -2.247 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -12.958 -1.278 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.006 0.059 -2.186 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -13.137 -2.285 -0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -13.228 -0.589 -0.106 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -15.151 -3.529 -0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -16.526 -3.058 0.304 1.00 0.00 H new TER 816 GLN A 560