USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=8 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 549 HIS : no HE2:sc= -2.25 K(o=-3,f=-9!) USER MOD Set 1.2: A 550 ASN : amide:sc= -0.794 K(o=-3,f=-8.4!) USER MOD Single : A 508 GLN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -5.26! C(o=-5.3!,f=-7.8!) USER MOD Single : A 514 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.023) USER MOD Single : A 516 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-3.3!) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot -156:sc= 0.861! USER MOD Single : A 520 THR OG1 : rot 35:sc= 1.08 USER MOD Single : A 521 GLN : amide:sc= -2.29 K(o=-2.3,f=-1.2) 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 174:sc= -1.21 (180deg=-1.26) USER MOD Single : A 551 GLN : amide:sc= -5.37! C(o=-5.4!,f=-3.7!) USER MOD Single : A 560 GLN : amide:sc= 0.00472 X(o=0.0047,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -14.926 7.403 -2.819 1.00 0.00 N ATOM 2 CA ALA A 507 -15.021 6.528 -4.013 1.00 0.00 C ATOM 3 C ALA A 507 -15.304 5.081 -3.623 1.00 0.00 C ATOM 4 O ALA A 507 -15.511 4.761 -2.456 1.00 0.00 O ATOM 5 CB ALA A 507 -13.736 6.603 -4.824 1.00 0.00 C ATOM 0 HA ALA A 507 -15.853 6.884 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -13.819 5.956 -5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -13.569 7.630 -5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -12.898 6.276 -4.209 1.00 0.00 H new ATOM 13 N GLN A 508 -15.294 4.212 -4.618 1.00 0.00 N ATOM 14 CA GLN A 508 -15.528 2.790 -4.407 1.00 0.00 C ATOM 15 C GLN A 508 -14.409 1.979 -5.050 1.00 0.00 C ATOM 16 O GLN A 508 -14.575 1.410 -6.130 1.00 0.00 O ATOM 17 CB GLN A 508 -16.887 2.378 -4.983 1.00 0.00 C ATOM 18 CG GLN A 508 -17.773 1.651 -3.983 1.00 0.00 C ATOM 19 CD GLN A 508 -18.168 0.265 -4.452 1.00 0.00 C ATOM 20 OE1 GLN A 508 -19.352 -0.072 -4.501 1.00 0.00 O ATOM 21 NE2 GLN A 508 -17.179 -0.547 -4.801 1.00 0.00 N ATOM 0 H GLN A 508 -15.125 4.468 -5.591 1.00 0.00 H new ATOM 0 HA GLN A 508 -15.537 2.591 -3.335 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -17.407 3.268 -5.338 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -16.726 1.736 -5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -17.250 1.572 -3.030 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -18.673 2.240 -3.805 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -16.212 -0.227 -4.745 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -17.385 -1.492 -5.126 1.00 0.00 H new ATOM 30 N PRO A 509 -13.245 1.929 -4.388 1.00 0.00 N ATOM 31 CA PRO A 509 -12.076 1.197 -4.886 1.00 0.00 C ATOM 32 C PRO A 509 -12.334 -0.299 -4.998 1.00 0.00 C ATOM 33 O PRO A 509 -12.344 -0.861 -6.093 1.00 0.00 O ATOM 34 CB PRO A 509 -10.999 1.469 -3.824 1.00 0.00 C ATOM 35 CG PRO A 509 -11.475 2.673 -3.086 1.00 0.00 C ATOM 36 CD PRO A 509 -12.970 2.591 -3.102 1.00 0.00 C ATOM 0 HA PRO A 509 -11.797 1.518 -5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -10.882 0.617 -3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -10.028 1.648 -4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -11.094 2.683 -2.065 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -11.128 3.589 -3.565 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -13.353 2.014 -2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -13.430 3.578 -3.048 1.00 0.00 H new ATOM 44 N LYS A 510 -12.536 -0.929 -3.847 1.00 0.00 N ATOM 45 CA LYS A 510 -12.791 -2.360 -3.758 1.00 0.00 C ATOM 46 C LYS A 510 -12.700 -2.812 -2.310 1.00 0.00 C ATOM 47 O LYS A 510 -13.386 -3.740 -1.883 1.00 0.00 O ATOM 48 CB LYS A 510 -11.797 -3.147 -4.614 1.00 0.00 C ATOM 49 CG LYS A 510 -10.351 -3.010 -4.163 1.00 0.00 C ATOM 50 CD LYS A 510 -9.551 -2.126 -5.108 1.00 0.00 C ATOM 51 CE LYS A 510 -8.551 -1.267 -4.352 1.00 0.00 C ATOM 52 NZ LYS A 510 -7.459 -0.776 -5.238 1.00 0.00 N ATOM 0 H LYS A 510 -12.527 -0.457 -2.943 1.00 0.00 H new ATOM 0 HA LYS A 510 -13.795 -2.554 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -12.074 -4.201 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -11.878 -2.812 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -10.321 -2.590 -3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -9.891 -3.997 -4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -9.024 -2.748 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -10.230 -1.486 -5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -9.067 -0.417 -3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -8.122 -1.845 -3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -6.798 -0.194 -4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -6.950 -1.587 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -7.865 -0.203 -6.005 1.00 0.00 H new ATOM 66 N CYS A 511 -11.851 -2.127 -1.563 1.00 0.00 N ATOM 67 CA CYS A 511 -11.650 -2.414 -0.151 1.00 0.00 C ATOM 68 C CYS A 511 -11.255 -3.868 0.073 1.00 0.00 C ATOM 69 O CYS A 511 -12.096 -4.716 0.373 1.00 0.00 O ATOM 70 CB CYS A 511 -12.921 -2.075 0.626 1.00 0.00 C ATOM 71 SG CYS A 511 -12.869 -0.474 1.497 1.00 0.00 S ATOM 0 H CYS A 511 -11.282 -1.358 -1.916 1.00 0.00 H new ATOM 0 HA CYS A 511 -10.829 -1.796 0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -13.764 -2.071 -0.065 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -13.109 -2.865 1.354 1.00 0.00 H new ATOM 76 N ASN A 512 -9.962 -4.142 -0.063 1.00 0.00 N ATOM 77 CA ASN A 512 -9.434 -5.485 0.135 1.00 0.00 C ATOM 78 C ASN A 512 -8.489 -5.505 1.333 1.00 0.00 C ATOM 79 O ASN A 512 -7.270 -5.519 1.172 1.00 0.00 O ATOM 80 CB ASN A 512 -8.699 -5.959 -1.120 1.00 0.00 C ATOM 81 CG ASN A 512 -7.724 -4.925 -1.645 1.00 0.00 C ATOM 82 OD1 ASN A 512 -7.355 -3.987 -0.937 1.00 0.00 O ATOM 83 ND2 ASN A 512 -7.300 -5.089 -2.893 1.00 0.00 N ATOM 0 H ASN A 512 -9.258 -3.447 -0.311 1.00 0.00 H new ATOM 0 HA ASN A 512 -10.267 -6.161 0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -8.161 -6.880 -0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -9.427 -6.195 -1.896 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -6.643 -4.423 -3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -7.631 -5.881 -3.444 1.00 0.00 H new ATOM 90 N PRO A 513 -9.047 -5.508 2.558 1.00 0.00 N ATOM 91 CA PRO A 513 -8.254 -5.522 3.793 1.00 0.00 C ATOM 92 C PRO A 513 -7.440 -6.803 3.945 1.00 0.00 C ATOM 93 O PRO A 513 -6.574 -6.901 4.816 1.00 0.00 O ATOM 94 CB PRO A 513 -9.301 -5.411 4.907 1.00 0.00 C ATOM 95 CG PRO A 513 -10.582 -5.854 4.287 1.00 0.00 C ATOM 96 CD PRO A 513 -10.494 -5.501 2.828 1.00 0.00 C ATOM 0 HA PRO A 513 -7.520 -4.716 3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -9.038 -6.039 5.758 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -9.376 -4.388 5.276 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.726 -6.926 4.419 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -11.432 -5.358 4.756 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -11.021 -6.226 2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -10.935 -4.525 2.624 1.00 0.00 H new ATOM 104 N ASN A 514 -7.722 -7.782 3.092 1.00 0.00 N ATOM 105 CA ASN A 514 -7.021 -9.057 3.123 1.00 0.00 C ATOM 106 C ASN A 514 -5.674 -8.965 2.407 1.00 0.00 C ATOM 107 O ASN A 514 -4.774 -9.768 2.658 1.00 0.00 O ATOM 108 CB ASN A 514 -7.892 -10.135 2.478 1.00 0.00 C ATOM 109 CG ASN A 514 -7.224 -11.497 2.466 1.00 0.00 C ATOM 110 OD1 ASN A 514 -7.202 -12.181 1.444 1.00 0.00 O ATOM 111 ND2 ASN A 514 -6.675 -11.895 3.608 1.00 0.00 N ATOM 0 H ASN A 514 -8.436 -7.714 2.367 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.827 -9.321 4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.837 -10.203 3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.128 -9.842 1.455 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -6.211 -12.802 3.662 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -6.717 -11.294 4.431 1.00 0.00 H new ATOM 118 N LEU A 515 -5.540 -7.987 1.515 1.00 0.00 N ATOM 119 CA LEU A 515 -4.300 -7.801 0.767 1.00 0.00 C ATOM 120 C LEU A 515 -3.336 -6.889 1.520 1.00 0.00 C ATOM 121 O LEU A 515 -3.155 -5.725 1.161 1.00 0.00 O ATOM 122 CB LEU A 515 -4.597 -7.221 -0.617 1.00 0.00 C ATOM 123 CG LEU A 515 -5.433 -8.118 -1.531 1.00 0.00 C ATOM 124 CD1 LEU A 515 -5.559 -7.500 -2.916 1.00 0.00 C ATOM 125 CD2 LEU A 515 -4.821 -9.508 -1.619 1.00 0.00 C ATOM 0 H LEU A 515 -6.273 -7.313 1.293 1.00 0.00 H new ATOM 0 HA LEU A 515 -3.827 -8.776 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -5.117 -6.271 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.651 -7.004 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 515 -6.432 -8.209 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -6.157 -8.152 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -6.043 -6.527 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.567 -7.378 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.429 -10.133 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.811 -9.436 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.784 -9.953 -0.625 1.00 0.00 H new ATOM 137 N HIS A 516 -2.722 -7.426 2.570 1.00 0.00 N ATOM 138 CA HIS A 516 -1.775 -6.665 3.381 1.00 0.00 C ATOM 139 C HIS A 516 -0.396 -6.596 2.724 1.00 0.00 C ATOM 140 O HIS A 516 0.492 -5.892 3.206 1.00 0.00 O ATOM 141 CB HIS A 516 -1.654 -7.287 4.774 1.00 0.00 C ATOM 142 CG HIS A 516 -2.932 -7.264 5.553 1.00 0.00 C ATOM 143 ND1 HIS A 516 -3.404 -6.136 6.191 1.00 0.00 N ATOM 144 CD2 HIS A 516 -3.839 -8.239 5.796 1.00 0.00 C ATOM 145 CE1 HIS A 516 -4.545 -6.418 6.794 1.00 0.00 C ATOM 146 NE2 HIS A 516 -4.831 -7.687 6.568 1.00 0.00 N ATOM 0 H HIS A 516 -2.863 -8.387 2.880 1.00 0.00 H new ATOM 0 HA HIS A 516 -2.158 -5.648 3.467 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -1.318 -8.319 4.674 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -0.886 -6.754 5.335 1.00 0.00 H new ATOM 0 HD1 HIS A 516 -2.944 -5.226 6.196 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -3.791 -9.260 5.448 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -5.142 -5.729 7.373 1.00 0.00 H new ATOM 155 N TYR A 517 -0.213 -7.334 1.632 1.00 0.00 N ATOM 156 CA TYR A 517 1.068 -7.355 0.932 1.00 0.00 C ATOM 157 C TYR A 517 1.254 -6.114 0.059 1.00 0.00 C ATOM 158 O TYR A 517 2.360 -5.584 -0.048 1.00 0.00 O ATOM 159 CB TYR A 517 1.178 -8.615 0.072 1.00 0.00 C ATOM 160 CG TYR A 517 0.931 -9.895 0.839 1.00 0.00 C ATOM 161 CD1 TYR A 517 1.532 -10.116 2.071 1.00 0.00 C ATOM 162 CD2 TYR A 517 0.097 -10.882 0.329 1.00 0.00 C ATOM 163 CE1 TYR A 517 1.309 -11.284 2.775 1.00 0.00 C ATOM 164 CE2 TYR A 517 -0.131 -12.053 1.028 1.00 0.00 C ATOM 165 CZ TYR A 517 0.477 -12.249 2.249 1.00 0.00 C ATOM 166 OH TYR A 517 0.252 -13.413 2.946 1.00 0.00 O ATOM 0 H TYR A 517 -0.933 -7.923 1.214 1.00 0.00 H new ATOM 0 HA TYR A 517 1.856 -7.358 1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 517 0.463 -8.549 -0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 517 2.172 -8.655 -0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 517 2.185 -9.362 2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -0.381 -10.732 -0.628 1.00 0.00 H new ATOM 0 HE1 TYR A 517 1.784 -11.440 3.732 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -0.783 -12.811 0.619 1.00 0.00 H new ATOM 0 HH TYR A 517 -0.359 -13.986 2.437 1.00 0.00 H new ATOM 176 N TRP A 518 0.175 -5.661 -0.572 1.00 0.00 N ATOM 177 CA TRP A 518 0.237 -4.490 -1.444 1.00 0.00 C ATOM 178 C TRP A 518 -0.510 -3.297 -0.853 1.00 0.00 C ATOM 179 O TRP A 518 -0.638 -2.263 -1.504 1.00 0.00 O ATOM 180 CB TRP A 518 -0.341 -4.825 -2.819 1.00 0.00 C ATOM 181 CG TRP A 518 0.596 -5.614 -3.682 1.00 0.00 C ATOM 182 CD1 TRP A 518 1.624 -5.126 -4.436 1.00 0.00 C ATOM 183 CD2 TRP A 518 0.587 -7.032 -3.883 1.00 0.00 C ATOM 184 NE1 TRP A 518 2.257 -6.154 -5.092 1.00 0.00 N ATOM 185 CE2 TRP A 518 1.639 -7.334 -4.768 1.00 0.00 C ATOM 186 CE3 TRP A 518 -0.207 -8.075 -3.398 1.00 0.00 C ATOM 187 CZ2 TRP A 518 1.916 -8.635 -5.179 1.00 0.00 C ATOM 188 CZ3 TRP A 518 0.070 -9.367 -3.806 1.00 0.00 C ATOM 189 CH2 TRP A 518 1.122 -9.637 -4.689 1.00 0.00 C ATOM 0 H TRP A 518 -0.750 -6.084 -0.497 1.00 0.00 H new ATOM 0 HA TRP A 518 1.287 -4.214 -1.541 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -1.265 -5.388 -2.689 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -0.602 -3.899 -3.331 1.00 0.00 H new ATOM 0 HD1 TRP A 518 1.899 -4.084 -4.507 1.00 0.00 H new ATOM 0 HE1 TRP A 518 3.056 -6.055 -5.718 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -1.022 -7.876 -2.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 2.728 -8.846 -5.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -0.536 -10.182 -3.437 1.00 0.00 H new ATOM 0 HH2 TRP A 518 1.311 -10.657 -4.990 1.00 0.00 H new ATOM 200 N THR A 519 -1.004 -3.444 0.375 1.00 0.00 N ATOM 201 CA THR A 519 -1.741 -2.375 1.047 1.00 0.00 C ATOM 202 C THR A 519 -2.846 -1.814 0.140 1.00 0.00 C ATOM 203 O THR A 519 -4.016 -2.161 0.296 1.00 0.00 O ATOM 204 CB THR A 519 -0.782 -1.264 1.516 1.00 0.00 C ATOM 205 OG1 THR A 519 -0.512 -0.342 0.474 1.00 0.00 O ATOM 206 CG2 THR A 519 0.546 -1.803 2.010 1.00 0.00 C ATOM 0 H THR A 519 -0.907 -4.296 0.927 1.00 0.00 H new ATOM 0 HA THR A 519 -2.223 -2.795 1.930 1.00 0.00 H new ATOM 0 HB THR A 519 -1.296 -0.771 2.341 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.346 0.101 0.643 1.00 0.00 H new ATOM 0 HG21 THR A 519 1.180 -0.975 2.327 1.00 0.00 H new ATOM 0 HG22 THR A 519 0.376 -2.473 2.853 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.039 -2.350 1.206 1.00 0.00 H new ATOM 214 N THR A 520 -2.476 -0.965 -0.817 1.00 0.00 N ATOM 215 CA THR A 520 -3.440 -0.386 -1.743 1.00 0.00 C ATOM 216 C THR A 520 -2.718 0.547 -2.702 1.00 0.00 C ATOM 217 O THR A 520 -2.669 0.305 -3.908 1.00 0.00 O ATOM 218 CB THR A 520 -4.534 0.371 -0.981 1.00 0.00 C ATOM 219 OG1 THR A 520 -5.571 -0.509 -0.586 1.00 0.00 O ATOM 220 CG2 THR A 520 -5.164 1.485 -1.784 1.00 0.00 C ATOM 0 H THR A 520 -1.513 -0.664 -0.969 1.00 0.00 H new ATOM 0 HA THR A 520 -3.917 -1.186 -2.309 1.00 0.00 H new ATOM 0 HB THR A 520 -4.032 0.806 -0.117 1.00 0.00 H new ATOM 0 HG1 THR A 520 -5.191 -1.386 -0.370 1.00 0.00 H new ATOM 0 HG21 THR A 520 -5.929 1.978 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 520 -4.399 2.210 -2.063 1.00 0.00 H new ATOM 0 HG23 THR A 520 -5.619 1.072 -2.684 1.00 0.00 H new ATOM 228 N GLN A 521 -2.124 1.595 -2.146 1.00 0.00 N ATOM 229 CA GLN A 521 -1.364 2.541 -2.941 1.00 0.00 C ATOM 230 C GLN A 521 -0.063 1.897 -3.378 1.00 0.00 C ATOM 231 O GLN A 521 0.642 2.412 -4.246 1.00 0.00 O ATOM 232 CB GLN A 521 -1.091 3.820 -2.149 1.00 0.00 C ATOM 233 CG GLN A 521 -2.353 4.562 -1.741 1.00 0.00 C ATOM 234 CD GLN A 521 -2.329 6.023 -2.146 1.00 0.00 C ATOM 235 OE1 GLN A 521 -2.416 6.353 -3.330 1.00 0.00 O ATOM 236 NE2 GLN A 521 -2.212 6.907 -1.163 1.00 0.00 N ATOM 0 H GLN A 521 -2.156 1.808 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 521 -1.945 2.813 -3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 521 -0.521 3.569 -1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 521 -0.467 4.483 -2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -3.217 4.077 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -2.478 4.491 -0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -2.143 6.589 -0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -2.191 7.905 -1.374 1.00 0.00 H new ATOM 245 N ASP A 522 0.244 0.753 -2.775 1.00 0.00 N ATOM 246 CA ASP A 522 1.445 0.026 -3.108 1.00 0.00 C ATOM 247 C ASP A 522 1.176 -0.999 -4.208 1.00 0.00 C ATOM 248 O ASP A 522 2.104 -1.585 -4.766 1.00 0.00 O ATOM 249 CB ASP A 522 2.038 -0.652 -1.875 1.00 0.00 C ATOM 250 CG ASP A 522 2.353 0.336 -0.770 1.00 0.00 C ATOM 251 OD1 ASP A 522 2.929 1.401 -1.073 1.00 0.00 O ATOM 252 OD2 ASP A 522 2.023 0.045 0.398 1.00 0.00 O ATOM 0 H ASP A 522 -0.329 0.316 -2.053 1.00 0.00 H new ATOM 0 HA ASP A 522 2.174 0.745 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 522 1.338 -1.399 -1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 522 2.949 -1.181 -2.157 1.00 0.00 H new ATOM 257 N GLU A 523 -0.103 -1.217 -4.511 1.00 0.00 N ATOM 258 CA GLU A 523 -0.505 -2.173 -5.538 1.00 0.00 C ATOM 259 C GLU A 523 0.343 -2.026 -6.802 1.00 0.00 C ATOM 260 O GLU A 523 0.518 -2.984 -7.555 1.00 0.00 O ATOM 261 CB GLU A 523 -1.987 -1.980 -5.874 1.00 0.00 C ATOM 262 CG GLU A 523 -2.273 -0.738 -6.706 1.00 0.00 C ATOM 263 CD GLU A 523 -2.609 -1.067 -8.147 1.00 0.00 C ATOM 264 OE1 GLU A 523 -3.780 -1.406 -8.422 1.00 0.00 O ATOM 265 OE2 GLU A 523 -1.702 -0.985 -9.002 1.00 0.00 O ATOM 0 H GLU A 523 -0.882 -0.741 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 523 -0.347 -3.178 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -2.345 -2.857 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -2.556 -1.923 -4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -3.102 -0.189 -6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.404 -0.080 -6.680 1.00 0.00 H new ATOM 272 N GLY A 524 0.867 -0.825 -7.028 1.00 0.00 N ATOM 273 CA GLY A 524 1.687 -0.588 -8.198 1.00 0.00 C ATOM 274 C GLY A 524 1.510 0.810 -8.750 1.00 0.00 C ATOM 275 O GLY A 524 1.422 0.999 -9.963 1.00 0.00 O ATOM 0 H GLY A 524 0.738 -0.015 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 524 2.735 -0.745 -7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 524 1.434 -1.315 -8.969 1.00 0.00 H new ATOM 279 N ALA A 525 1.448 1.794 -7.858 1.00 0.00 N ATOM 280 CA ALA A 525 1.268 3.180 -8.271 1.00 0.00 C ATOM 281 C ALA A 525 2.579 3.959 -8.226 1.00 0.00 C ATOM 282 O ALA A 525 3.044 4.464 -9.247 1.00 0.00 O ATOM 283 CB ALA A 525 0.219 3.858 -7.404 1.00 0.00 C ATOM 0 H ALA A 525 1.519 1.658 -6.850 1.00 0.00 H new ATOM 0 HA ALA A 525 0.925 3.174 -9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 525 0.096 4.893 -7.724 1.00 0.00 H new ATOM 0 HB2 ALA A 525 -0.730 3.332 -7.503 1.00 0.00 H new ATOM 0 HB3 ALA A 525 0.539 3.837 -6.362 1.00 0.00 H new ATOM 289 N ALA A 526 3.172 4.049 -7.042 1.00 0.00 N ATOM 290 CA ALA A 526 4.432 4.765 -6.874 1.00 0.00 C ATOM 291 C ALA A 526 5.413 3.914 -6.100 1.00 0.00 C ATOM 292 O ALA A 526 6.166 4.404 -5.259 1.00 0.00 O ATOM 293 CB ALA A 526 4.204 6.097 -6.177 1.00 0.00 C ATOM 0 H ALA A 526 2.802 3.637 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 526 4.852 4.970 -7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 526 5.156 6.615 -6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.528 6.709 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 526 3.764 5.923 -5.195 1.00 0.00 H new ATOM 299 N ILE A 527 5.374 2.625 -6.384 1.00 0.00 N ATOM 300 CA ILE A 527 6.229 1.665 -5.718 1.00 0.00 C ATOM 301 C ILE A 527 7.498 1.357 -6.509 1.00 0.00 C ATOM 302 O ILE A 527 8.327 0.560 -6.075 1.00 0.00 O ATOM 303 CB ILE A 527 5.449 0.371 -5.445 1.00 0.00 C ATOM 304 CG1 ILE A 527 4.811 -0.173 -6.732 1.00 0.00 C ATOM 305 CG2 ILE A 527 4.376 0.661 -4.417 1.00 0.00 C ATOM 306 CD1 ILE A 527 5.813 -0.636 -7.767 1.00 0.00 C ATOM 0 H ILE A 527 4.750 2.217 -7.081 1.00 0.00 H new ATOM 0 HA ILE A 527 6.544 2.114 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 527 6.136 -0.387 -5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 527 4.156 -1.006 -6.477 1.00 0.00 H new ATOM 0 HG13 ILE A 527 4.183 0.603 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 527 3.813 -0.249 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 527 4.840 1.015 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 527 3.702 1.426 -4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.284 -1.006 -8.645 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.453 0.199 -8.053 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.425 -1.435 -7.349 1.00 0.00 H new ATOM 318 N GLY A 528 7.641 1.982 -7.671 1.00 0.00 N ATOM 319 CA GLY A 528 8.804 1.747 -8.504 1.00 0.00 C ATOM 320 C GLY A 528 10.125 2.073 -7.824 1.00 0.00 C ATOM 321 O GLY A 528 11.185 1.701 -8.327 1.00 0.00 O ATOM 0 H GLY A 528 6.970 2.649 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 528 8.813 0.701 -8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 528 8.716 2.345 -9.411 1.00 0.00 H new ATOM 325 N LEU A 529 10.079 2.774 -6.691 1.00 0.00 N ATOM 326 CA LEU A 529 11.303 3.137 -5.986 1.00 0.00 C ATOM 327 C LEU A 529 11.593 2.185 -4.829 1.00 0.00 C ATOM 328 O LEU A 529 12.750 1.928 -4.500 1.00 0.00 O ATOM 329 CB LEU A 529 11.206 4.572 -5.464 1.00 0.00 C ATOM 330 CG LEU A 529 9.935 4.886 -4.669 1.00 0.00 C ATOM 331 CD1 LEU A 529 10.282 5.546 -3.343 1.00 0.00 C ATOM 332 CD2 LEU A 529 9.004 5.776 -5.481 1.00 0.00 C ATOM 0 H LEU A 529 9.219 3.097 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 529 12.126 3.062 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.071 4.772 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 529 11.265 5.256 -6.311 1.00 0.00 H new ATOM 0 HG LEU A 529 9.420 3.948 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 529 9.366 5.761 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 529 10.909 4.875 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 529 10.820 6.475 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 529 8.106 5.989 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 529 9.511 6.711 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 529 8.727 5.267 -6.404 1.00 0.00 H new ATOM 344 N ALA A 530 10.536 1.684 -4.201 1.00 0.00 N ATOM 345 CA ALA A 530 10.677 0.782 -3.063 1.00 0.00 C ATOM 346 C ALA A 530 10.408 -0.673 -3.426 1.00 0.00 C ATOM 347 O ALA A 530 10.490 -1.554 -2.571 1.00 0.00 O ATOM 348 CB ALA A 530 9.730 1.202 -1.967 1.00 0.00 C ATOM 0 H ALA A 530 9.571 1.887 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 530 11.712 0.849 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 530 9.835 0.528 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 530 9.964 2.220 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 530 8.705 1.162 -2.337 1.00 0.00 H new ATOM 354 N TRP A 531 10.072 -0.924 -4.680 1.00 0.00 N ATOM 355 CA TRP A 531 9.777 -2.277 -5.127 1.00 0.00 C ATOM 356 C TRP A 531 10.935 -3.235 -4.858 1.00 0.00 C ATOM 357 O TRP A 531 10.778 -4.450 -4.978 1.00 0.00 O ATOM 358 CB TRP A 531 9.426 -2.262 -6.608 1.00 0.00 C ATOM 359 CG TRP A 531 8.689 -3.487 -7.058 1.00 0.00 C ATOM 360 CD1 TRP A 531 7.385 -3.799 -6.801 1.00 0.00 C ATOM 361 CD2 TRP A 531 9.212 -4.565 -7.843 1.00 0.00 C ATOM 362 NE1 TRP A 531 7.064 -5.003 -7.378 1.00 0.00 N ATOM 363 CE2 TRP A 531 8.169 -5.494 -8.023 1.00 0.00 C ATOM 364 CE3 TRP A 531 10.460 -4.835 -8.411 1.00 0.00 C ATOM 365 CZ2 TRP A 531 8.338 -6.671 -8.747 1.00 0.00 C ATOM 366 CZ3 TRP A 531 10.626 -6.005 -9.130 1.00 0.00 C ATOM 367 CH2 TRP A 531 9.569 -6.909 -9.293 1.00 0.00 C ATOM 0 H TRP A 531 9.996 -0.211 -5.406 1.00 0.00 H new ATOM 0 HA TRP A 531 8.924 -2.642 -4.555 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.818 -1.383 -6.821 1.00 0.00 H new ATOM 0 HB3 TRP A 531 10.342 -2.164 -7.190 1.00 0.00 H new ATOM 0 HD1 TRP A 531 6.705 -3.187 -6.227 1.00 0.00 H new ATOM 0 HE1 TRP A 531 6.152 -5.458 -7.334 1.00 0.00 H new ATOM 0 HE3 TRP A 531 11.280 -4.143 -8.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 7.526 -7.371 -8.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 11.586 -6.225 -9.573 1.00 0.00 H new ATOM 0 HH2 TRP A 531 9.729 -7.813 -9.862 1.00 0.00 H new ATOM 378 N ILE A 532 12.091 -2.695 -4.489 1.00 0.00 N ATOM 379 CA ILE A 532 13.249 -3.524 -4.203 1.00 0.00 C ATOM 380 C ILE A 532 13.926 -3.098 -2.902 1.00 0.00 C ATOM 381 O ILE A 532 14.996 -2.490 -2.913 1.00 0.00 O ATOM 382 CB ILE A 532 14.263 -3.470 -5.360 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.654 -2.021 -5.663 1.00 0.00 C ATOM 384 CG2 ILE A 532 13.669 -4.132 -6.594 1.00 0.00 C ATOM 385 CD1 ILE A 532 16.063 -1.668 -5.236 1.00 0.00 C ATOM 0 H ILE A 532 12.248 -1.693 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 532 12.896 -4.549 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 532 15.164 -4.010 -5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.553 -1.843 -6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.954 -1.353 -5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 532 14.390 -4.092 -7.411 1.00 0.00 H new ATOM 0 HG22 ILE A 532 13.432 -5.172 -6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.760 -3.607 -6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.268 -0.626 -5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 532 16.164 -1.813 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 532 16.773 -2.311 -5.757 1.00 0.00 H new ATOM 397 N PRO A 533 13.302 -3.416 -1.752 1.00 0.00 N ATOM 398 CA PRO A 533 13.833 -3.072 -0.430 1.00 0.00 C ATOM 399 C PRO A 533 15.330 -3.346 -0.304 1.00 0.00 C ATOM 400 O PRO A 533 15.741 -4.455 0.036 1.00 0.00 O ATOM 401 CB PRO A 533 13.042 -3.975 0.533 1.00 0.00 C ATOM 402 CG PRO A 533 12.171 -4.841 -0.326 1.00 0.00 C ATOM 403 CD PRO A 533 12.031 -4.137 -1.644 1.00 0.00 C ATOM 0 HA PRO A 533 13.722 -2.007 -0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 533 13.715 -4.580 1.140 1.00 0.00 H new ATOM 0 HB3 PRO A 533 12.442 -3.379 1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 533 12.616 -5.827 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 533 11.196 -4.991 0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 533 11.891 -4.838 -2.466 1.00 0.00 H new ATOM 0 HD3 PRO A 533 11.177 -3.459 -1.654 1.00 0.00 H new ATOM 411 N TYR A 534 16.136 -2.327 -0.579 1.00 0.00 N ATOM 412 CA TYR A 534 17.587 -2.454 -0.495 1.00 0.00 C ATOM 413 C TYR A 534 18.106 -1.949 0.851 1.00 0.00 C ATOM 414 O TYR A 534 19.170 -2.365 1.311 1.00 0.00 O ATOM 415 CB TYR A 534 18.254 -1.678 -1.631 1.00 0.00 C ATOM 416 CG TYR A 534 19.721 -1.999 -1.807 1.00 0.00 C ATOM 417 CD1 TYR A 534 20.127 -3.170 -2.437 1.00 0.00 C ATOM 418 CD2 TYR A 534 20.702 -1.131 -1.342 1.00 0.00 C ATOM 419 CE1 TYR A 534 21.467 -3.465 -2.599 1.00 0.00 C ATOM 420 CE2 TYR A 534 22.043 -1.420 -1.501 1.00 0.00 C ATOM 421 CZ TYR A 534 22.421 -2.587 -2.129 1.00 0.00 C ATOM 422 OH TYR A 534 23.756 -2.878 -2.288 1.00 0.00 O ATOM 0 H TYR A 534 15.810 -1.403 -0.862 1.00 0.00 H new ATOM 0 HA TYR A 534 17.837 -3.511 -0.586 1.00 0.00 H new ATOM 0 HB2 TYR A 534 17.730 -1.893 -2.562 1.00 0.00 H new ATOM 0 HB3 TYR A 534 18.145 -0.610 -1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 534 19.383 -3.860 -2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 534 20.411 -0.216 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 534 21.766 -4.379 -3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 534 22.793 -0.734 -1.135 1.00 0.00 H new ATOM 0 HH TYR A 534 24.296 -2.157 -1.903 1.00 0.00 H new ATOM 432 N PHE A 535 17.354 -1.045 1.474 1.00 0.00 N ATOM 433 CA PHE A 535 17.745 -0.478 2.761 1.00 0.00 C ATOM 434 C PHE A 535 17.629 -1.509 3.881 1.00 0.00 C ATOM 435 O PHE A 535 18.429 -1.513 4.817 1.00 0.00 O ATOM 436 CB PHE A 535 16.885 0.745 3.084 1.00 0.00 C ATOM 437 CG PHE A 535 17.648 2.038 3.050 1.00 0.00 C ATOM 438 CD1 PHE A 535 18.780 2.210 3.832 1.00 0.00 C ATOM 439 CD2 PHE A 535 17.235 3.083 2.238 1.00 0.00 C ATOM 440 CE1 PHE A 535 19.484 3.398 3.804 1.00 0.00 C ATOM 441 CE2 PHE A 535 17.935 4.273 2.207 1.00 0.00 C ATOM 442 CZ PHE A 535 19.061 4.432 2.990 1.00 0.00 C ATOM 0 H PHE A 535 16.471 -0.690 1.108 1.00 0.00 H new ATOM 0 HA PHE A 535 18.789 -0.174 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 535 16.062 0.799 2.372 1.00 0.00 H new ATOM 0 HB3 PHE A 535 16.444 0.618 4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 535 19.115 1.406 4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 535 16.355 2.965 1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 535 20.364 3.519 4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 535 17.602 5.079 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 535 19.610 5.362 2.967 1.00 0.00 H new ATOM 452 N GLY A 536 16.631 -2.383 3.785 1.00 0.00 N ATOM 453 CA GLY A 536 16.440 -3.399 4.803 1.00 0.00 C ATOM 454 C GLY A 536 14.980 -3.754 5.016 1.00 0.00 C ATOM 455 O GLY A 536 14.570 -4.884 4.750 1.00 0.00 O ATOM 0 H GLY A 536 15.954 -2.405 3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 536 16.990 -4.297 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 536 16.864 -3.048 5.744 1.00 0.00 H new ATOM 459 N PRO A 537 14.160 -2.802 5.496 1.00 0.00 N ATOM 460 CA PRO A 537 12.735 -3.036 5.739 1.00 0.00 C ATOM 461 C PRO A 537 12.003 -3.455 4.475 1.00 0.00 C ATOM 462 O PRO A 537 12.622 -3.824 3.478 1.00 0.00 O ATOM 463 CB PRO A 537 12.216 -1.679 6.235 1.00 0.00 C ATOM 464 CG PRO A 537 13.247 -0.691 5.810 1.00 0.00 C ATOM 465 CD PRO A 537 14.552 -1.429 5.839 1.00 0.00 C ATOM 0 HA PRO A 537 12.573 -3.846 6.450 1.00 0.00 H new ATOM 0 HB2 PRO A 537 11.244 -1.446 5.801 1.00 0.00 H new ATOM 0 HB3 PRO A 537 12.090 -1.677 7.318 1.00 0.00 H new ATOM 0 HG2 PRO A 537 13.035 -0.309 4.811 1.00 0.00 H new ATOM 0 HG3 PRO A 537 13.267 0.167 6.482 1.00 0.00 H new ATOM 0 HD2 PRO A 537 15.263 -1.021 5.121 1.00 0.00 H new ATOM 0 HD3 PRO A 537 15.024 -1.377 6.820 1.00 0.00 H new ATOM 473 N ALA A 538 10.681 -3.389 4.523 1.00 0.00 N ATOM 474 CA ALA A 538 9.864 -3.758 3.376 1.00 0.00 C ATOM 475 C ALA A 538 10.078 -2.781 2.232 1.00 0.00 C ATOM 476 O ALA A 538 10.296 -3.187 1.092 1.00 0.00 O ATOM 477 CB ALA A 538 8.393 -3.811 3.757 1.00 0.00 C ATOM 0 H ALA A 538 10.152 -3.085 5.340 1.00 0.00 H new ATOM 0 HA ALA A 538 10.170 -4.751 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 538 7.801 -4.089 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 538 8.248 -4.550 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 538 8.074 -2.832 4.115 1.00 0.00 H new ATOM 483 N ALA A 539 10.015 -1.489 2.545 1.00 0.00 N ATOM 484 CA ALA A 539 10.205 -0.438 1.542 1.00 0.00 C ATOM 485 C ALA A 539 9.045 -0.385 0.563 1.00 0.00 C ATOM 486 O ALA A 539 8.442 0.664 0.343 1.00 0.00 O ATOM 487 CB ALA A 539 11.487 -0.674 0.772 1.00 0.00 C ATOM 0 H ALA A 539 9.834 -1.142 3.487 1.00 0.00 H new ATOM 0 HA ALA A 539 10.258 0.512 2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 539 11.616 0.114 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 539 12.332 -0.666 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 539 11.437 -1.640 0.270 1.00 0.00 H new ATOM 493 N GLU A 540 8.760 -1.537 -0.027 1.00 0.00 N ATOM 494 CA GLU A 540 7.693 -1.697 -1.008 1.00 0.00 C ATOM 495 C GLU A 540 6.462 -0.855 -0.668 1.00 0.00 C ATOM 496 O GLU A 540 5.713 -0.451 -1.559 1.00 0.00 O ATOM 497 CB GLU A 540 7.329 -3.175 -1.087 1.00 0.00 C ATOM 498 CG GLU A 540 8.049 -3.923 -2.197 1.00 0.00 C ATOM 499 CD GLU A 540 7.488 -5.313 -2.424 1.00 0.00 C ATOM 500 OE1 GLU A 540 6.315 -5.545 -2.063 1.00 0.00 O ATOM 501 OE2 GLU A 540 8.223 -6.169 -2.960 1.00 0.00 O ATOM 0 H GLU A 540 9.270 -2.400 0.164 1.00 0.00 H new ATOM 0 HA GLU A 540 8.051 -1.342 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 540 7.560 -3.648 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.253 -3.268 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 540 7.976 -3.351 -3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 540 9.108 -3.999 -1.951 1.00 0.00 H new ATOM 508 N GLY A 541 6.263 -0.579 0.616 1.00 0.00 N ATOM 509 CA GLY A 541 5.136 0.230 1.035 1.00 0.00 C ATOM 510 C GLY A 541 5.568 1.415 1.876 1.00 0.00 C ATOM 511 O GLY A 541 5.124 2.542 1.658 1.00 0.00 O ATOM 0 H GLY A 541 6.864 -0.902 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 541 4.599 0.586 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 541 4.441 -0.385 1.606 1.00 0.00 H new ATOM 515 N ILE A 542 6.437 1.155 2.847 1.00 0.00 N ATOM 516 CA ILE A 542 6.934 2.195 3.743 1.00 0.00 C ATOM 517 C ILE A 542 7.930 3.130 3.054 1.00 0.00 C ATOM 518 O ILE A 542 8.108 4.271 3.482 1.00 0.00 O ATOM 519 CB ILE A 542 7.604 1.594 4.996 1.00 0.00 C ATOM 520 CG1 ILE A 542 8.640 0.534 4.606 1.00 0.00 C ATOM 521 CG2 ILE A 542 6.553 0.995 5.919 1.00 0.00 C ATOM 522 CD1 ILE A 542 10.030 1.091 4.387 1.00 0.00 C ATOM 0 H ILE A 542 6.814 0.226 3.035 1.00 0.00 H new ATOM 0 HA ILE A 542 6.058 2.772 4.039 1.00 0.00 H new ATOM 0 HB ILE A 542 8.121 2.395 5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 542 8.682 -0.225 5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 542 8.311 0.035 3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 542 7.039 0.574 6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 542 5.854 1.772 6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 542 6.012 0.209 5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 542 10.707 0.282 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 542 10.004 1.829 3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 542 10.381 1.564 5.304 1.00 0.00 H new ATOM 534 N TYR A 543 8.579 2.656 1.994 1.00 0.00 N ATOM 535 CA TYR A 543 9.548 3.476 1.272 1.00 0.00 C ATOM 536 C TYR A 543 9.046 3.805 -0.131 1.00 0.00 C ATOM 537 O TYR A 543 9.643 4.610 -0.845 1.00 0.00 O ATOM 538 CB TYR A 543 10.901 2.765 1.197 1.00 0.00 C ATOM 539 CG TYR A 543 12.048 3.683 0.837 1.00 0.00 C ATOM 540 CD1 TYR A 543 12.305 4.020 -0.485 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.874 4.211 1.821 1.00 0.00 C ATOM 542 CE1 TYR A 543 13.351 4.857 -0.818 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.923 5.050 1.497 1.00 0.00 C ATOM 544 CZ TYR A 543 14.158 5.369 0.176 1.00 0.00 C ATOM 545 OH TYR A 543 15.201 6.204 -0.151 1.00 0.00 O ATOM 0 H TYR A 543 8.453 1.716 1.618 1.00 0.00 H new ATOM 0 HA TYR A 543 9.673 4.411 1.819 1.00 0.00 H new ATOM 0 HB2 TYR A 543 11.110 2.296 2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.841 1.965 0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 543 11.676 3.620 -1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.693 3.962 2.856 1.00 0.00 H new ATOM 0 HE1 TYR A 543 13.536 5.109 -1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.555 5.454 2.274 1.00 0.00 H new ATOM 0 HH TYR A 543 15.670 6.477 0.665 1.00 0.00 H new ATOM 555 N ALA A 544 7.935 3.185 -0.509 1.00 0.00 N ATOM 556 CA ALA A 544 7.328 3.406 -1.809 1.00 0.00 C ATOM 557 C ALA A 544 6.116 4.315 -1.666 1.00 0.00 C ATOM 558 O ALA A 544 5.809 5.112 -2.553 1.00 0.00 O ATOM 559 CB ALA A 544 6.926 2.074 -2.412 1.00 0.00 C ATOM 0 H ALA A 544 7.433 2.518 0.077 1.00 0.00 H new ATOM 0 HA ALA A 544 8.047 3.890 -2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 544 6.470 2.239 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 544 7.809 1.445 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 544 6.210 1.579 -1.756 1.00 0.00 H new ATOM 565 N GLU A 545 5.432 4.181 -0.533 1.00 0.00 N ATOM 566 CA GLU A 545 4.248 4.984 -0.251 1.00 0.00 C ATOM 567 C GLU A 545 4.454 5.845 0.996 1.00 0.00 C ATOM 568 O GLU A 545 3.934 6.957 1.089 1.00 0.00 O ATOM 569 CB GLU A 545 3.043 4.063 -0.051 1.00 0.00 C ATOM 570 CG GLU A 545 1.825 4.772 0.517 1.00 0.00 C ATOM 571 CD GLU A 545 1.299 5.850 -0.411 1.00 0.00 C ATOM 572 OE1 GLU A 545 2.091 6.731 -0.804 1.00 0.00 O ATOM 573 OE2 GLU A 545 0.096 5.812 -0.744 1.00 0.00 O ATOM 0 H GLU A 545 5.679 3.522 0.206 1.00 0.00 H new ATOM 0 HA GLU A 545 4.069 5.647 -1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 545 2.778 3.612 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 545 3.325 3.250 0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 545 1.038 4.042 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 545 2.082 5.217 1.478 1.00 0.00 H new ATOM 580 N GLY A 546 5.226 5.319 1.941 1.00 0.00 N ATOM 581 CA GLY A 546 5.517 6.027 3.177 1.00 0.00 C ATOM 582 C GLY A 546 4.344 6.816 3.732 1.00 0.00 C ATOM 583 O GLY A 546 4.508 7.973 4.121 1.00 0.00 O ATOM 0 H GLY A 546 5.662 4.400 1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 546 5.844 5.307 3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.350 6.708 3.005 1.00 0.00 H new ATOM 587 N LEU A 547 3.160 6.204 3.791 1.00 0.00 N ATOM 588 CA LEU A 547 1.991 6.896 4.328 1.00 0.00 C ATOM 589 C LEU A 547 0.746 6.000 4.322 1.00 0.00 C ATOM 590 O LEU A 547 0.187 5.704 5.378 1.00 0.00 O ATOM 591 CB LEU A 547 1.770 8.210 3.553 1.00 0.00 C ATOM 592 CG LEU A 547 0.407 8.408 2.875 1.00 0.00 C ATOM 593 CD1 LEU A 547 -0.091 9.830 3.085 1.00 0.00 C ATOM 594 CD2 LEU A 547 0.508 8.094 1.387 1.00 0.00 C ATOM 0 H LEU A 547 2.988 5.248 3.479 1.00 0.00 H new ATOM 0 HA LEU A 547 2.176 7.142 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.927 9.039 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.542 8.283 2.787 1.00 0.00 H new ATOM 0 HG LEU A 547 -0.309 7.723 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 547 -1.058 9.952 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 547 -0.195 10.025 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 547 0.623 10.533 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 547 -0.465 8.238 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 547 1.237 8.759 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.825 7.060 1.254 1.00 0.00 H new ATOM 606 N MET A 548 0.321 5.565 3.141 1.00 0.00 N ATOM 607 CA MET A 548 -0.850 4.697 3.027 1.00 0.00 C ATOM 608 C MET A 548 -0.442 3.229 2.979 1.00 0.00 C ATOM 609 O MET A 548 -1.260 2.359 2.681 1.00 0.00 O ATOM 610 CB MET A 548 -1.670 5.046 1.782 1.00 0.00 C ATOM 611 CG MET A 548 -2.938 5.833 2.083 1.00 0.00 C ATOM 612 SD MET A 548 -2.663 7.612 2.146 1.00 0.00 S ATOM 613 CE MET A 548 -2.760 7.906 3.910 1.00 0.00 C ATOM 0 H MET A 548 0.765 5.796 2.253 1.00 0.00 H new ATOM 0 HA MET A 548 -1.465 4.860 3.912 1.00 0.00 H new ATOM 0 HB2 MET A 548 -1.048 5.624 1.099 1.00 0.00 H new ATOM 0 HB3 MET A 548 -1.939 4.125 1.265 1.00 0.00 H new ATOM 0 HG2 MET A 548 -3.685 5.613 1.321 1.00 0.00 H new ATOM 0 HG3 MET A 548 -3.348 5.500 3.037 1.00 0.00 H new ATOM 0 HE1 MET A 548 -2.504 8.945 4.120 1.00 0.00 H new ATOM 0 HE2 MET A 548 -3.773 7.704 4.257 1.00 0.00 H new ATOM 0 HE3 MET A 548 -2.061 7.249 4.427 1.00 0.00 H new ATOM 623 N HIS A 549 0.824 2.954 3.282 1.00 0.00 N ATOM 624 CA HIS A 549 1.327 1.588 3.279 1.00 0.00 C ATOM 625 C HIS A 549 0.573 0.723 4.287 1.00 0.00 C ATOM 626 O HIS A 549 0.717 -0.498 4.296 1.00 0.00 O ATOM 627 CB HIS A 549 2.821 1.573 3.596 1.00 0.00 C ATOM 628 CG HIS A 549 3.164 2.236 4.894 1.00 0.00 C ATOM 629 ND1 HIS A 549 2.782 1.735 6.120 1.00 0.00 N ATOM 630 CD2 HIS A 549 3.863 3.367 5.154 1.00 0.00 C ATOM 631 CE1 HIS A 549 3.228 2.529 7.078 1.00 0.00 C ATOM 632 NE2 HIS A 549 3.888 3.526 6.517 1.00 0.00 N ATOM 0 H HIS A 549 1.517 3.659 3.532 1.00 0.00 H new ATOM 0 HA HIS A 549 1.168 1.173 2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 549 3.168 0.540 3.622 1.00 0.00 H new ATOM 0 HB3 HIS A 549 3.360 2.070 2.790 1.00 0.00 H new ATOM 0 HD1 HIS A 549 2.239 0.884 6.265 1.00 0.00 H new ATOM 0 HD2 HIS A 549 4.316 4.022 4.424 1.00 0.00 H new ATOM 0 HE1 HIS A 549 3.078 2.387 8.138 1.00 0.00 H new ATOM 641 N ASN A 550 -0.217 1.357 5.148 1.00 0.00 N ATOM 642 CA ASN A 550 -0.968 0.627 6.158 1.00 0.00 C ATOM 643 C ASN A 550 -2.385 0.316 5.695 1.00 0.00 C ATOM 644 O ASN A 550 -2.898 -0.774 5.943 1.00 0.00 O ATOM 645 CB ASN A 550 -1.007 1.422 7.462 1.00 0.00 C ATOM 646 CG ASN A 550 0.190 1.139 8.349 1.00 0.00 C ATOM 647 OD1 ASN A 550 1.222 0.655 7.883 1.00 0.00 O ATOM 648 ND2 ASN A 550 0.058 1.439 9.635 1.00 0.00 N ATOM 0 H ASN A 550 -0.352 2.368 5.165 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.458 -0.322 6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -1.043 2.487 7.234 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.922 1.181 8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 550 0.830 1.270 10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -0.815 1.839 9.978 1.00 0.00 H new ATOM 655 N GLN A 551 -3.008 1.275 5.026 1.00 0.00 N ATOM 656 CA GLN A 551 -4.366 1.104 4.524 1.00 0.00 C ATOM 657 C GLN A 551 -4.425 -0.063 3.545 1.00 0.00 C ATOM 658 O GLN A 551 -4.537 0.126 2.334 1.00 0.00 O ATOM 659 CB GLN A 551 -4.848 2.385 3.843 1.00 0.00 C ATOM 660 CG GLN A 551 -3.966 2.829 2.688 1.00 0.00 C ATOM 661 CD GLN A 551 -4.763 3.426 1.545 1.00 0.00 C ATOM 662 OE1 GLN A 551 -5.851 3.967 1.748 1.00 0.00 O ATOM 663 NE2 GLN A 551 -4.226 3.329 0.335 1.00 0.00 N ATOM 0 H GLN A 551 -2.594 2.183 4.817 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.022 0.889 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -5.863 2.232 3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -4.894 3.185 4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.245 3.564 3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -3.395 1.976 2.322 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.322 2.872 0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -4.717 3.711 -0.473 1.00 0.00 H new ATOM 672 N ASP A 552 -4.336 -1.271 4.083 1.00 0.00 N ATOM 673 CA ASP A 552 -4.362 -2.480 3.270 1.00 0.00 C ATOM 674 C ASP A 552 -5.787 -2.929 2.962 1.00 0.00 C ATOM 675 O ASP A 552 -6.016 -4.095 2.652 1.00 0.00 O ATOM 676 CB ASP A 552 -3.613 -3.608 3.980 1.00 0.00 C ATOM 677 CG ASP A 552 -2.193 -3.224 4.351 1.00 0.00 C ATOM 678 OD1 ASP A 552 -1.786 -2.083 4.045 1.00 0.00 O ATOM 679 OD2 ASP A 552 -1.487 -4.064 4.948 1.00 0.00 O ATOM 0 H ASP A 552 -4.245 -1.441 5.085 1.00 0.00 H new ATOM 0 HA ASP A 552 -3.871 -2.247 2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -4.157 -3.888 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -3.591 -4.486 3.335 1.00 0.00 H new ATOM 684 N GLY A 553 -6.737 -2.005 3.050 1.00 0.00 N ATOM 685 CA GLY A 553 -8.124 -2.338 2.783 1.00 0.00 C ATOM 686 C GLY A 553 -9.001 -2.156 4.008 1.00 0.00 C ATOM 687 O GLY A 553 -10.146 -2.606 4.036 1.00 0.00 O ATOM 0 H GLY A 553 -6.571 -1.031 3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -8.498 -1.711 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -8.189 -3.371 2.441 1.00 0.00 H new ATOM 691 N LEU A 554 -8.456 -1.490 5.019 1.00 0.00 N ATOM 692 CA LEU A 554 -9.178 -1.233 6.257 1.00 0.00 C ATOM 693 C LEU A 554 -9.629 0.217 6.302 1.00 0.00 C ATOM 694 O LEU A 554 -10.800 0.518 6.534 1.00 0.00 O ATOM 695 CB LEU A 554 -8.274 -1.512 7.455 1.00 0.00 C ATOM 696 CG LEU A 554 -7.374 -2.745 7.323 1.00 0.00 C ATOM 697 CD1 LEU A 554 -5.972 -2.439 7.830 1.00 0.00 C ATOM 698 CD2 LEU A 554 -7.969 -3.923 8.078 1.00 0.00 C ATOM 0 H LEU A 554 -7.507 -1.115 5.004 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.048 -1.888 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.644 -0.639 7.625 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.898 -1.631 8.340 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.308 -3.011 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -5.347 -3.326 7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -5.544 -1.624 7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -6.020 -2.147 8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -7.316 -4.790 7.973 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -8.066 -3.667 9.133 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.952 -4.158 7.670 1.00 0.00 H new ATOM 710 N ILE A 555 -8.674 1.106 6.073 1.00 0.00 N ATOM 711 CA ILE A 555 -8.922 2.535 6.075 1.00 0.00 C ATOM 712 C ILE A 555 -9.580 2.985 4.769 1.00 0.00 C ATOM 713 O ILE A 555 -9.916 4.156 4.602 1.00 0.00 O ATOM 714 CB ILE A 555 -7.597 3.291 6.302 1.00 0.00 C ATOM 715 CG1 ILE A 555 -7.049 3.010 7.707 1.00 0.00 C ATOM 716 CG2 ILE A 555 -7.772 4.786 6.088 1.00 0.00 C ATOM 717 CD1 ILE A 555 -8.112 2.624 8.718 1.00 0.00 C ATOM 0 H ILE A 555 -7.705 0.854 5.881 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.611 2.766 6.888 1.00 0.00 H new ATOM 0 HB ILE A 555 -6.876 2.929 5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.313 2.208 7.645 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -6.526 3.896 8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -6.821 5.291 6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -8.106 4.971 5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.514 5.169 6.788 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -7.645 2.442 9.686 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -8.836 3.433 8.811 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -8.620 1.719 8.384 1.00 0.00 H new ATOM 729 N CYS A 556 -9.781 2.039 3.857 1.00 0.00 N ATOM 730 CA CYS A 556 -10.420 2.326 2.583 1.00 0.00 C ATOM 731 C CYS A 556 -11.895 2.673 2.777 1.00 0.00 C ATOM 732 O CYS A 556 -12.575 3.059 1.828 1.00 0.00 O ATOM 733 CB CYS A 556 -10.295 1.121 1.651 1.00 0.00 C ATOM 734 SG CYS A 556 -11.018 -0.409 2.325 1.00 0.00 S ATOM 0 H CYS A 556 -9.508 1.064 3.980 1.00 0.00 H new ATOM 0 HA CYS A 556 -9.917 3.185 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -10.781 1.355 0.704 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -9.241 0.949 1.435 1.00 0.00 H new ATOM 739 N GLY A 557 -12.389 2.521 4.009 1.00 0.00 N ATOM 740 CA GLY A 557 -13.786 2.811 4.297 1.00 0.00 C ATOM 741 C GLY A 557 -14.213 4.225 3.927 1.00 0.00 C ATOM 742 O GLY A 557 -15.399 4.549 3.993 1.00 0.00 O ATOM 0 H GLY A 557 -11.845 2.202 4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -14.413 2.100 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -13.968 2.654 5.360 1.00 0.00 H new ATOM 746 N LEU A 558 -13.258 5.072 3.547 1.00 0.00 N ATOM 747 CA LEU A 558 -13.561 6.455 3.177 1.00 0.00 C ATOM 748 C LEU A 558 -14.776 6.547 2.251 1.00 0.00 C ATOM 749 O LEU A 558 -15.849 6.986 2.666 1.00 0.00 O ATOM 750 CB LEU A 558 -12.346 7.104 2.506 1.00 0.00 C ATOM 751 CG LEU A 558 -11.498 6.166 1.639 1.00 0.00 C ATOM 752 CD1 LEU A 558 -11.444 6.664 0.203 1.00 0.00 C ATOM 753 CD2 LEU A 558 -10.095 6.030 2.211 1.00 0.00 C ATOM 0 H LEU A 558 -12.270 4.826 3.487 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.801 6.991 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -12.692 7.931 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -11.709 7.531 3.280 1.00 0.00 H new ATOM 0 HG LEU A 558 -11.967 5.182 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -10.837 5.984 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -12.453 6.705 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -11.002 7.660 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -9.509 5.360 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -9.618 7.010 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -10.152 5.622 3.220 1.00 0.00 H new ATOM 765 N ARG A 559 -14.598 6.136 0.997 1.00 0.00 N ATOM 766 CA ARG A 559 -15.679 6.178 0.008 1.00 0.00 C ATOM 767 C ARG A 559 -16.387 7.534 0.025 1.00 0.00 C ATOM 768 O ARG A 559 -15.951 8.460 0.709 1.00 0.00 O ATOM 769 CB ARG A 559 -16.692 5.063 0.273 1.00 0.00 C ATOM 770 CG ARG A 559 -16.110 3.666 0.137 1.00 0.00 C ATOM 771 CD ARG A 559 -15.687 3.111 1.484 1.00 0.00 C ATOM 772 NE ARG A 559 -15.795 1.655 1.538 1.00 0.00 N ATOM 773 CZ ARG A 559 -16.926 1.002 1.802 1.00 0.00 C ATOM 774 NH1 ARG A 559 -18.050 1.669 2.026 1.00 0.00 N ATOM 775 NH2 ARG A 559 -16.931 -0.324 1.837 1.00 0.00 N ATOM 0 H ARG A 559 -13.716 5.770 0.639 1.00 0.00 H new ATOM 0 HA ARG A 559 -15.235 6.030 -0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -17.096 5.183 1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -17.526 5.169 -0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -16.849 3.004 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -15.251 3.691 -0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -14.658 3.405 1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -16.306 3.549 2.267 1.00 0.00 H new ATOM 0 HE ARG A 559 -14.954 1.105 1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -18.052 2.689 1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -18.912 1.162 2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -16.070 -0.842 1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -17.796 -0.826 2.039 1.00 0.00 H new ATOM 789 N GLN A 560 -17.480 7.635 -0.736 1.00 0.00 N ATOM 790 CA GLN A 560 -18.271 8.868 -0.828 1.00 0.00 C ATOM 791 C GLN A 560 -17.404 10.119 -0.673 1.00 0.00 C ATOM 792 O GLN A 560 -17.892 11.108 -0.087 1.00 0.00 O ATOM 793 CB GLN A 560 -19.387 8.864 0.224 1.00 0.00 C ATOM 794 CG GLN A 560 -18.884 8.936 1.657 1.00 0.00 C ATOM 795 CD GLN A 560 -19.718 8.100 2.609 1.00 0.00 C ATOM 796 OE1 GLN A 560 -20.862 8.440 2.913 1.00 0.00 O ATOM 797 NE2 GLN A 560 -19.147 7.000 3.085 1.00 0.00 N ATOM 798 OXT GLN A 560 -16.246 10.095 -1.140 1.00 0.00 O ATOM 0 H GLN A 560 -17.841 6.869 -1.304 1.00 0.00 H new ATOM 0 HA GLN A 560 -18.714 8.897 -1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -20.050 9.709 0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -19.983 7.959 0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -17.849 8.597 1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -18.891 9.974 1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -18.197 6.757 2.806 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -19.659 6.398 3.730 1.00 0.00 H new TER 807 GLN A 560