USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=10 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 512 ASN :FLIP amide:sc= -1.15 F(o=-3.5!,f=-1.1) USER MOD Set 1.2: A 516 HIS :FLIP no HD1:sc= 0 X(o=-1.2,f=-1.1) USER MOD Single : A 508 GLN : amide:sc= -0.753 X(o=-0.75,f=-1) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 514 ASN :FLIP amide:sc= -0.889 F(o=-2.4,f=-0.89) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 519 THR OG1 : rot 180:sc= 0 USER MOD Single : A 520 THR OG1 : rot -127:sc= 1.23 USER MOD Single : A 521 GLN : amide:sc= -5.32! C(o=-5.3!,f=-6.2!) 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 -151:sc= -6.43! (180deg=-9.89!) USER MOD Single : A 549 HIS : no HD1:sc= -6.01! C(o=-6!,f=-5.7!) USER MOD Single : A 550 ASN : amide:sc= -0.686 X(o=-0.69,f=-0.54) USER MOD Single : A 551 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.6) USER MOD Single : A 560 GLN :FLIP amide:sc= -0.459 F(o=-1.7,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -11.128 -11.879 -0.295 1.00 0.00 N ATOM 2 CA ALA A 507 -11.873 -10.775 0.364 1.00 0.00 C ATOM 3 C ALA A 507 -11.366 -10.542 1.783 1.00 0.00 C ATOM 4 O ALA A 507 -10.773 -11.431 2.395 1.00 0.00 O ATOM 5 CB ALA A 507 -13.363 -11.082 0.379 1.00 0.00 C ATOM 0 HA ALA A 507 -11.705 -9.863 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -13.898 -10.266 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -13.722 -11.193 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -13.538 -12.007 0.928 1.00 0.00 H new ATOM 13 N GLN A 508 -11.601 -9.341 2.300 1.00 0.00 N ATOM 14 CA GLN A 508 -11.167 -8.988 3.648 1.00 0.00 C ATOM 15 C GLN A 508 -11.627 -7.578 4.013 1.00 0.00 C ATOM 16 O GLN A 508 -11.306 -6.618 3.315 1.00 0.00 O ATOM 17 CB GLN A 508 -9.643 -9.080 3.751 1.00 0.00 C ATOM 18 CG GLN A 508 -8.912 -8.058 2.893 1.00 0.00 C ATOM 19 CD GLN A 508 -7.411 -8.265 2.893 1.00 0.00 C ATOM 20 OE1 GLN A 508 -6.873 -9.004 3.719 1.00 0.00 O ATOM 21 NE2 GLN A 508 -6.723 -7.611 1.964 1.00 0.00 N ATOM 0 H GLN A 508 -12.090 -8.594 1.806 1.00 0.00 H new ATOM 0 HA GLN A 508 -11.617 -9.692 4.348 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -9.349 -8.945 4.792 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -9.327 -10.081 3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -9.283 -8.116 1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -9.137 -7.056 3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -7.209 -7.009 1.299 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -5.709 -7.711 1.915 1.00 0.00 H new ATOM 30 N PRO A 509 -12.395 -7.432 5.109 1.00 0.00 N ATOM 31 CA PRO A 509 -12.902 -6.144 5.556 1.00 0.00 C ATOM 32 C PRO A 509 -12.010 -5.495 6.610 1.00 0.00 C ATOM 33 O PRO A 509 -11.432 -6.178 7.451 1.00 0.00 O ATOM 34 CB PRO A 509 -14.237 -6.538 6.166 1.00 0.00 C ATOM 35 CG PRO A 509 -13.956 -7.854 6.812 1.00 0.00 C ATOM 36 CD PRO A 509 -12.851 -8.507 6.005 1.00 0.00 C ATOM 0 HA PRO A 509 -12.958 -5.409 4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -14.579 -5.800 6.892 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -15.015 -6.622 5.407 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -13.650 -7.719 7.849 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -14.849 -8.479 6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -12.044 -8.864 6.645 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -13.218 -9.367 5.445 1.00 0.00 H new ATOM 44 N LYS A 510 -11.924 -4.173 6.549 1.00 0.00 N ATOM 45 CA LYS A 510 -11.123 -3.378 7.482 1.00 0.00 C ATOM 46 C LYS A 510 -11.208 -1.893 7.149 1.00 0.00 C ATOM 47 O LYS A 510 -11.510 -1.066 8.006 1.00 0.00 O ATOM 48 CB LYS A 510 -9.669 -3.837 7.465 1.00 0.00 C ATOM 49 CG LYS A 510 -9.386 -4.910 8.494 1.00 0.00 C ATOM 50 CD LYS A 510 -8.711 -6.122 7.873 1.00 0.00 C ATOM 51 CE LYS A 510 -7.279 -5.818 7.466 1.00 0.00 C ATOM 52 NZ LYS A 510 -6.294 -6.419 8.407 1.00 0.00 N ATOM 0 H LYS A 510 -12.410 -3.614 5.847 1.00 0.00 H new ATOM 0 HA LYS A 510 -11.528 -3.528 8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -9.423 -4.216 6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -9.019 -2.981 7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -8.750 -4.502 9.279 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -10.319 -5.216 8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -8.720 -6.948 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -9.277 -6.447 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -7.099 -6.198 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -7.134 -4.738 7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -5.329 -6.188 8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -6.449 -6.037 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -6.415 -7.452 8.423 1.00 0.00 H new ATOM 66 N CYS A 511 -10.948 -1.586 5.889 1.00 0.00 N ATOM 67 CA CYS A 511 -10.997 -0.215 5.367 1.00 0.00 C ATOM 68 C CYS A 511 -9.726 0.563 5.645 1.00 0.00 C ATOM 69 O CYS A 511 -9.766 1.743 5.992 1.00 0.00 O ATOM 70 CB CYS A 511 -12.225 0.540 5.879 1.00 0.00 C ATOM 71 SG CYS A 511 -13.793 -0.043 5.151 1.00 0.00 S ATOM 0 H CYS A 511 -10.694 -2.281 5.187 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.083 -0.305 4.284 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.277 0.440 6.963 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -12.105 1.602 5.662 1.00 0.00 H new ATOM 76 N ASN A 512 -8.595 -0.100 5.451 1.00 0.00 N ATOM 77 CA ASN A 512 -7.302 0.538 5.639 1.00 0.00 C ATOM 78 C ASN A 512 -6.583 0.826 4.303 1.00 0.00 C ATOM 79 O ASN A 512 -5.495 1.400 4.311 1.00 0.00 O ATOM 80 CB ASN A 512 -6.411 -0.322 6.541 1.00 0.00 C ATOM 81 CG ASN A 512 -5.025 0.273 6.749 1.00 0.00 C ATOM 82 OD1 ASN A 512 -4.925 1.600 6.721 1.00 0.00 O flip ATOM 83 ND2 ASN A 512 -4.051 -0.458 6.933 1.00 0.00 N flip ATOM 0 H ASN A 512 -8.547 -1.078 5.164 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.489 1.499 6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -6.896 -0.447 7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.312 -1.316 6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.169 -1.471 6.948 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -3.126 -0.050 7.071 1.00 0.00 H new ATOM 90 N PRO A 513 -7.147 0.444 3.128 1.00 0.00 N ATOM 91 CA PRO A 513 -6.483 0.699 1.849 1.00 0.00 C ATOM 92 C PRO A 513 -6.574 2.159 1.405 1.00 0.00 C ATOM 93 O PRO A 513 -5.640 2.934 1.602 1.00 0.00 O ATOM 94 CB PRO A 513 -7.224 -0.203 0.863 1.00 0.00 C ATOM 95 CG PRO A 513 -8.580 -0.394 1.452 1.00 0.00 C ATOM 96 CD PRO A 513 -8.435 -0.257 2.942 1.00 0.00 C ATOM 0 HA PRO A 513 -5.414 0.495 1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -7.284 0.257 -0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -6.711 -1.156 0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.278 0.348 1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -8.979 -1.374 1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.261 0.311 3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -8.431 -1.231 3.431 1.00 0.00 H new ATOM 104 N ASN A 514 -7.700 2.528 0.795 1.00 0.00 N ATOM 105 CA ASN A 514 -7.905 3.884 0.310 1.00 0.00 C ATOM 106 C ASN A 514 -8.298 4.839 1.443 1.00 0.00 C ATOM 107 O ASN A 514 -8.816 5.927 1.194 1.00 0.00 O ATOM 108 CB ASN A 514 -8.969 3.876 -0.796 1.00 0.00 C ATOM 109 CG ASN A 514 -10.390 3.947 -0.265 1.00 0.00 C ATOM 110 OD1 ASN A 514 -10.898 2.821 0.219 1.00 0.00 O flip ATOM 111 ND2 ASN A 514 -11.023 5.003 -0.294 1.00 0.00 N flip ATOM 0 H ASN A 514 -8.486 1.900 0.626 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.964 4.250 -0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.796 4.720 -1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.856 2.970 -1.392 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -10.592 5.845 -0.675 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -11.978 5.035 0.063 1.00 0.00 H new ATOM 118 N LEU A 515 -8.045 4.427 2.685 1.00 0.00 N ATOM 119 CA LEU A 515 -8.368 5.247 3.844 1.00 0.00 C ATOM 120 C LEU A 515 -7.136 5.443 4.726 1.00 0.00 C ATOM 121 O LEU A 515 -7.248 5.579 5.944 1.00 0.00 O ATOM 122 CB LEU A 515 -9.496 4.599 4.654 1.00 0.00 C ATOM 123 CG LEU A 515 -10.755 4.237 3.855 1.00 0.00 C ATOM 124 CD1 LEU A 515 -11.123 5.358 2.893 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.555 2.929 3.102 1.00 0.00 C ATOM 0 H LEU A 515 -7.617 3.529 2.911 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.701 6.223 3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.110 3.693 5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.779 5.278 5.458 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.578 4.106 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -12.018 5.081 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.314 6.272 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.301 5.525 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.459 2.690 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -9.717 3.031 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.346 2.129 3.812 1.00 0.00 H new ATOM 137 N HIS A 516 -5.961 5.454 4.100 1.00 0.00 N ATOM 138 CA HIS A 516 -4.707 5.632 4.824 1.00 0.00 C ATOM 139 C HIS A 516 -3.515 5.654 3.868 1.00 0.00 C ATOM 140 O HIS A 516 -2.557 6.396 4.075 1.00 0.00 O ATOM 141 CB HIS A 516 -4.525 4.515 5.854 1.00 0.00 C ATOM 142 CG HIS A 516 -3.674 4.908 7.022 1.00 0.00 C ATOM 143 ND1 HIS A 516 -2.788 5.922 7.171 1.00 0.00 N flip ATOM 144 CD2 HIS A 516 -3.673 4.223 8.218 1.00 0.00 C flip ATOM 145 CE1 HIS A 516 -2.276 5.830 8.442 1.00 0.00 C flip ATOM 146 NE2 HIS A 516 -2.826 4.798 9.053 1.00 0.00 N flip ATOM 0 H HIS A 516 -5.852 5.342 3.092 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.752 6.592 5.338 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.505 4.204 6.217 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -4.078 3.650 5.364 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -4.272 3.352 8.438 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -1.542 6.495 8.872 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -2.631 4.496 10.007 1.00 0.00 H new ATOM 155 N TYR A 517 -3.586 4.828 2.826 1.00 0.00 N ATOM 156 CA TYR A 517 -2.519 4.727 1.821 1.00 0.00 C ATOM 157 C TYR A 517 -1.859 6.082 1.541 1.00 0.00 C ATOM 158 O TYR A 517 -0.634 6.184 1.473 1.00 0.00 O ATOM 159 CB TYR A 517 -3.079 4.134 0.524 1.00 0.00 C ATOM 160 CG TYR A 517 -3.947 5.089 -0.269 1.00 0.00 C ATOM 161 CD1 TYR A 517 -5.122 5.596 0.270 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.594 5.479 -1.556 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.921 6.466 -0.449 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.388 6.349 -2.280 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.550 6.839 -1.723 1.00 0.00 C ATOM 166 OH TYR A 517 -6.342 7.704 -2.441 1.00 0.00 O ATOM 0 H TYR A 517 -4.379 4.211 2.651 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.749 4.068 2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.248 3.809 -0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.662 3.245 0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.417 5.306 1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.685 5.096 -1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.831 6.851 -0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -4.099 6.644 -3.278 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.938 7.865 -3.319 1.00 0.00 H new ATOM 176 N TRP A 518 -2.679 7.115 1.386 1.00 0.00 N ATOM 177 CA TRP A 518 -2.189 8.467 1.123 1.00 0.00 C ATOM 178 C TRP A 518 -1.358 8.971 2.299 1.00 0.00 C ATOM 179 O TRP A 518 -1.852 9.714 3.147 1.00 0.00 O ATOM 180 CB TRP A 518 -3.371 9.410 0.888 1.00 0.00 C ATOM 181 CG TRP A 518 -4.496 9.180 1.852 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.397 8.663 3.113 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.886 9.445 1.635 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.637 8.589 3.692 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.569 9.066 2.807 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.619 9.966 0.567 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.951 9.192 2.938 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -7.988 10.091 0.697 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.642 9.707 1.874 1.00 0.00 C ATOM 0 H TRP A 518 -3.695 7.043 1.438 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.560 8.443 0.233 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -3.030 10.442 0.974 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.738 9.279 -0.130 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.475 8.357 3.585 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.834 8.237 4.629 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -6.124 10.266 -0.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.458 8.895 3.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.564 10.492 -0.124 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.714 9.819 1.944 1.00 0.00 H new ATOM 200 N THR A 519 -0.101 8.550 2.359 1.00 0.00 N ATOM 201 CA THR A 519 0.777 8.951 3.450 1.00 0.00 C ATOM 202 C THR A 519 2.216 8.548 3.169 1.00 0.00 C ATOM 203 O THR A 519 3.125 9.377 3.193 1.00 0.00 O ATOM 204 CB THR A 519 0.297 8.294 4.738 1.00 0.00 C ATOM 205 OG1 THR A 519 1.213 8.517 5.795 1.00 0.00 O ATOM 206 CG2 THR A 519 0.096 6.801 4.601 1.00 0.00 C ATOM 0 H THR A 519 0.331 7.935 1.670 1.00 0.00 H new ATOM 0 HA THR A 519 0.745 10.036 3.549 1.00 0.00 H new ATOM 0 HB THR A 519 -0.665 8.756 4.958 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.882 8.087 6.611 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.246 6.391 5.551 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.650 6.603 3.831 1.00 0.00 H new ATOM 0 HG23 THR A 519 1.039 6.331 4.322 1.00 0.00 H new ATOM 214 N THR A 520 2.407 7.268 2.890 1.00 0.00 N ATOM 215 CA THR A 520 3.721 6.733 2.582 1.00 0.00 C ATOM 216 C THR A 520 3.697 6.065 1.212 1.00 0.00 C ATOM 217 O THR A 520 4.732 5.644 0.697 1.00 0.00 O ATOM 218 CB THR A 520 4.162 5.735 3.656 1.00 0.00 C ATOM 219 OG1 THR A 520 5.514 5.362 3.467 1.00 0.00 O ATOM 220 CG2 THR A 520 3.335 4.466 3.680 1.00 0.00 C ATOM 0 H THR A 520 1.659 6.575 2.871 1.00 0.00 H new ATOM 0 HA THR A 520 4.440 7.552 2.565 1.00 0.00 H new ATOM 0 HB THR A 520 4.022 6.255 4.604 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.582 4.385 3.432 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.704 3.806 4.465 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.292 4.715 3.876 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.413 3.963 2.716 1.00 0.00 H new ATOM 228 N GLN A 521 2.505 5.981 0.621 1.00 0.00 N ATOM 229 CA GLN A 521 2.350 5.379 -0.687 1.00 0.00 C ATOM 230 C GLN A 521 2.406 6.455 -1.766 1.00 0.00 C ATOM 231 O GLN A 521 3.015 6.278 -2.818 1.00 0.00 O ATOM 232 CB GLN A 521 1.038 4.582 -0.757 1.00 0.00 C ATOM 233 CG GLN A 521 -0.148 5.370 -1.287 1.00 0.00 C ATOM 234 CD GLN A 521 -0.122 5.520 -2.793 1.00 0.00 C ATOM 235 OE1 GLN A 521 0.156 4.565 -3.520 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.405 6.723 -3.267 1.00 0.00 N ATOM 0 H GLN A 521 1.638 6.324 1.034 1.00 0.00 H new ATOM 0 HA GLN A 521 3.170 4.683 -0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.191 3.709 -1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.797 4.213 0.240 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.071 4.872 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.157 6.358 -0.827 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.630 7.484 -2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.399 6.889 -4.273 1.00 0.00 H new ATOM 245 N ASP A 522 1.784 7.579 -1.475 1.00 0.00 N ATOM 246 CA ASP A 522 1.770 8.713 -2.393 1.00 0.00 C ATOM 247 C ASP A 522 3.008 9.580 -2.194 1.00 0.00 C ATOM 248 O ASP A 522 3.163 10.628 -2.821 1.00 0.00 O ATOM 249 CB ASP A 522 0.510 9.548 -2.178 1.00 0.00 C ATOM 250 CG ASP A 522 -0.234 9.821 -3.472 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.432 10.072 -4.497 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.482 9.785 -3.457 1.00 0.00 O ATOM 0 H ASP A 522 1.276 7.738 -0.605 1.00 0.00 H new ATOM 0 HA ASP A 522 1.774 8.330 -3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.152 9.029 -1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.781 10.495 -1.712 1.00 0.00 H new ATOM 257 N GLU A 523 3.881 9.122 -1.312 1.00 0.00 N ATOM 258 CA GLU A 523 5.118 9.819 -0.994 1.00 0.00 C ATOM 259 C GLU A 523 6.269 8.824 -0.964 1.00 0.00 C ATOM 260 O GLU A 523 7.427 9.180 -1.178 1.00 0.00 O ATOM 261 CB GLU A 523 4.982 10.525 0.355 1.00 0.00 C ATOM 262 CG GLU A 523 3.548 10.903 0.685 1.00 0.00 C ATOM 263 CD GLU A 523 3.454 12.098 1.613 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.925 13.189 1.227 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.910 11.945 2.727 1.00 0.00 O ATOM 0 H GLU A 523 3.752 8.253 -0.794 1.00 0.00 H new ATOM 0 HA GLU A 523 5.322 10.569 -1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.371 9.876 1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.598 11.425 0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 523 3.013 11.123 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 523 3.049 10.051 1.146 1.00 0.00 H new ATOM 272 N GLY A 524 5.925 7.567 -0.710 1.00 0.00 N ATOM 273 CA GLY A 524 6.907 6.510 -0.672 1.00 0.00 C ATOM 274 C GLY A 524 6.642 5.468 -1.742 1.00 0.00 C ATOM 275 O GLY A 524 7.566 4.822 -2.231 1.00 0.00 O ATOM 0 H GLY A 524 4.969 7.262 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.903 6.931 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.896 6.036 0.310 1.00 0.00 H new ATOM 279 N ALA A 525 5.372 5.319 -2.119 1.00 0.00 N ATOM 280 CA ALA A 525 4.990 4.360 -3.149 1.00 0.00 C ATOM 281 C ALA A 525 4.729 5.071 -4.470 1.00 0.00 C ATOM 282 O ALA A 525 4.035 4.557 -5.347 1.00 0.00 O ATOM 283 CB ALA A 525 3.764 3.572 -2.710 1.00 0.00 C ATOM 0 H ALA A 525 4.594 5.850 -1.726 1.00 0.00 H new ATOM 0 HA ALA A 525 5.813 3.661 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.491 2.860 -3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 525 3.988 3.034 -1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 525 2.934 4.257 -2.537 1.00 0.00 H new ATOM 289 N ALA A 526 5.292 6.264 -4.590 1.00 0.00 N ATOM 290 CA ALA A 526 5.133 7.082 -5.788 1.00 0.00 C ATOM 291 C ALA A 526 6.434 7.780 -6.180 1.00 0.00 C ATOM 292 O ALA A 526 6.492 8.476 -7.194 1.00 0.00 O ATOM 293 CB ALA A 526 4.044 8.116 -5.562 1.00 0.00 C ATOM 0 H ALA A 526 5.869 6.692 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 526 4.853 6.419 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.928 8.725 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 526 3.103 7.611 -5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.318 8.755 -4.723 1.00 0.00 H new ATOM 299 N ILE A 527 7.467 7.608 -5.366 1.00 0.00 N ATOM 300 CA ILE A 527 8.755 8.235 -5.618 1.00 0.00 C ATOM 301 C ILE A 527 9.898 7.344 -5.137 1.00 0.00 C ATOM 302 O ILE A 527 10.940 7.250 -5.786 1.00 0.00 O ATOM 303 CB ILE A 527 8.856 9.610 -4.917 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.802 9.727 -3.800 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.711 10.737 -5.933 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.496 10.368 -4.230 1.00 0.00 C ATOM 0 H ILE A 527 7.436 7.036 -4.522 1.00 0.00 H new ATOM 0 HA ILE A 527 8.837 8.379 -6.695 1.00 0.00 H new ATOM 0 HB ILE A 527 9.841 9.696 -4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.592 8.731 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 527 8.224 10.307 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.784 11.698 -5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.503 10.660 -6.678 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.742 10.661 -6.425 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.814 10.409 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.688 11.379 -4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 527 6.046 9.777 -5.028 1.00 0.00 H new ATOM 318 N GLY A 528 9.696 6.694 -3.994 1.00 0.00 N ATOM 319 CA GLY A 528 10.717 5.822 -3.446 1.00 0.00 C ATOM 320 C GLY A 528 10.930 4.577 -4.279 1.00 0.00 C ATOM 321 O GLY A 528 11.043 4.655 -5.502 1.00 0.00 O ATOM 0 H GLY A 528 8.843 6.757 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.656 6.370 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.437 5.533 -2.433 1.00 0.00 H new ATOM 325 N LEU A 529 11.007 3.425 -3.619 1.00 0.00 N ATOM 326 CA LEU A 529 11.231 2.167 -4.324 1.00 0.00 C ATOM 327 C LEU A 529 10.119 1.150 -4.058 1.00 0.00 C ATOM 328 O LEU A 529 10.293 0.205 -3.289 1.00 0.00 O ATOM 329 CB LEU A 529 12.593 1.577 -3.944 1.00 0.00 C ATOM 330 CG LEU A 529 13.559 2.549 -3.262 1.00 0.00 C ATOM 331 CD1 LEU A 529 14.869 1.852 -2.932 1.00 0.00 C ATOM 332 CD2 LEU A 529 13.801 3.762 -4.149 1.00 0.00 C ATOM 0 H LEU A 529 10.919 3.336 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 529 11.221 2.388 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.430 0.727 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 529 13.068 1.191 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 529 13.111 2.890 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 529 15.544 2.557 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 529 14.677 1.015 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 529 15.327 1.484 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 529 14.490 4.445 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 529 14.231 3.439 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 529 12.855 4.272 -4.334 1.00 0.00 H new ATOM 344 N ALA A 530 8.988 1.344 -4.728 1.00 0.00 N ATOM 345 CA ALA A 530 7.840 0.441 -4.606 1.00 0.00 C ATOM 346 C ALA A 530 7.724 -0.417 -5.859 1.00 0.00 C ATOM 347 O ALA A 530 7.310 -1.575 -5.814 1.00 0.00 O ATOM 348 CB ALA A 530 6.561 1.236 -4.404 1.00 0.00 C ATOM 0 H ALA A 530 8.838 2.124 -5.367 1.00 0.00 H new ATOM 0 HA ALA A 530 7.991 -0.204 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.717 0.552 -4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.643 1.831 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.404 1.896 -5.257 1.00 0.00 H new ATOM 354 N TRP A 531 8.110 0.186 -6.971 1.00 0.00 N ATOM 355 CA TRP A 531 8.090 -0.455 -8.281 1.00 0.00 C ATOM 356 C TRP A 531 9.186 -1.509 -8.375 1.00 0.00 C ATOM 357 O TRP A 531 9.145 -2.395 -9.227 1.00 0.00 O ATOM 358 CB TRP A 531 8.323 0.611 -9.357 1.00 0.00 C ATOM 359 CG TRP A 531 9.111 1.771 -8.833 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.406 1.750 -8.409 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.638 3.105 -8.623 1.00 0.00 C ATOM 362 NE1 TRP A 531 10.772 2.987 -7.948 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.705 3.843 -8.077 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.419 3.749 -8.851 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.585 5.194 -7.752 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.301 5.087 -8.528 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.378 5.798 -7.985 1.00 0.00 C ATOM 0 H TRP A 531 8.451 1.147 -6.993 1.00 0.00 H new ATOM 0 HA TRP A 531 7.124 -0.939 -8.428 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.850 0.166 -10.201 1.00 0.00 H new ATOM 0 HB3 TRP A 531 7.362 0.964 -9.732 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.050 0.884 -8.433 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.687 3.233 -7.571 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.583 3.210 -9.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.414 5.744 -7.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.362 5.593 -8.697 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.255 6.844 -7.745 1.00 0.00 H new ATOM 378 N ILE A 532 10.176 -1.390 -7.496 1.00 0.00 N ATOM 379 CA ILE A 532 11.301 -2.308 -7.475 1.00 0.00 C ATOM 380 C ILE A 532 11.071 -3.461 -6.493 1.00 0.00 C ATOM 381 O ILE A 532 10.920 -3.247 -5.291 1.00 0.00 O ATOM 382 CB ILE A 532 12.590 -1.550 -7.106 1.00 0.00 C ATOM 383 CG1 ILE A 532 13.812 -2.454 -7.218 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.493 -0.950 -5.712 1.00 0.00 C ATOM 385 CD1 ILE A 532 15.000 -1.745 -7.823 1.00 0.00 C ATOM 0 H ILE A 532 10.218 -0.660 -6.785 1.00 0.00 H new ATOM 0 HA ILE A 532 11.402 -2.736 -8.472 1.00 0.00 H new ATOM 0 HB ILE A 532 12.707 -0.734 -7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.079 -2.824 -6.228 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.563 -3.323 -7.826 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.417 -0.421 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 532 11.656 -0.253 -5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.336 -1.746 -4.984 1.00 0.00 H new ATOM 0 HD11 ILE A 532 15.844 -2.433 -7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 532 14.746 -1.398 -8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 532 15.270 -0.891 -7.201 1.00 0.00 H new ATOM 397 N PRO A 533 11.032 -4.711 -6.996 1.00 0.00 N ATOM 398 CA PRO A 533 10.817 -5.893 -6.164 1.00 0.00 C ATOM 399 C PRO A 533 12.117 -6.420 -5.565 1.00 0.00 C ATOM 400 O PRO A 533 12.603 -7.484 -5.949 1.00 0.00 O ATOM 401 CB PRO A 533 10.240 -6.894 -7.159 1.00 0.00 C ATOM 402 CG PRO A 533 10.902 -6.555 -8.453 1.00 0.00 C ATOM 403 CD PRO A 533 11.189 -5.072 -8.419 1.00 0.00 C ATOM 0 HA PRO A 533 10.175 -5.693 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 533 10.454 -7.920 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 533 9.156 -6.803 -7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 533 11.823 -7.125 -8.577 1.00 0.00 H new ATOM 0 HG3 PRO A 533 10.257 -6.805 -9.295 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.194 -4.852 -8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 533 10.496 -4.517 -9.051 1.00 0.00 H new ATOM 411 N TYR A 534 12.682 -5.667 -4.627 1.00 0.00 N ATOM 412 CA TYR A 534 13.929 -6.056 -3.985 1.00 0.00 C ATOM 413 C TYR A 534 13.682 -6.644 -2.598 1.00 0.00 C ATOM 414 O TYR A 534 14.123 -7.753 -2.298 1.00 0.00 O ATOM 415 CB TYR A 534 14.861 -4.848 -3.884 1.00 0.00 C ATOM 416 CG TYR A 534 16.260 -5.192 -3.431 1.00 0.00 C ATOM 417 CD1 TYR A 534 16.856 -6.393 -3.792 1.00 0.00 C ATOM 418 CD2 TYR A 534 16.985 -4.312 -2.641 1.00 0.00 C ATOM 419 CE1 TYR A 534 18.135 -6.708 -3.378 1.00 0.00 C ATOM 420 CE2 TYR A 534 18.265 -4.617 -2.221 1.00 0.00 C ATOM 421 CZ TYR A 534 18.837 -5.816 -2.593 1.00 0.00 C ATOM 422 OH TYR A 534 20.111 -6.125 -2.177 1.00 0.00 O ATOM 0 H TYR A 534 12.295 -4.784 -4.295 1.00 0.00 H new ATOM 0 HA TYR A 534 14.398 -6.827 -4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 534 14.914 -4.360 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 534 14.431 -4.127 -3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 534 16.310 -7.093 -4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 534 16.541 -3.372 -2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 534 18.584 -7.647 -3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 534 18.815 -3.921 -1.605 1.00 0.00 H new ATOM 0 HH TYR A 534 20.465 -5.390 -1.633 1.00 0.00 H new ATOM 432 N PHE A 535 12.981 -5.892 -1.755 1.00 0.00 N ATOM 433 CA PHE A 535 12.684 -6.341 -0.395 1.00 0.00 C ATOM 434 C PHE A 535 11.181 -6.489 -0.181 1.00 0.00 C ATOM 435 O PHE A 535 10.725 -7.436 0.460 1.00 0.00 O ATOM 436 CB PHE A 535 13.261 -5.358 0.627 1.00 0.00 C ATOM 437 CG PHE A 535 13.353 -3.944 0.124 1.00 0.00 C ATOM 438 CD1 PHE A 535 14.365 -3.571 -0.745 1.00 0.00 C ATOM 439 CD2 PHE A 535 12.427 -2.993 0.516 1.00 0.00 C ATOM 440 CE1 PHE A 535 14.452 -2.273 -1.214 1.00 0.00 C ATOM 441 CE2 PHE A 535 12.508 -1.694 0.051 1.00 0.00 C ATOM 442 CZ PHE A 535 13.522 -1.334 -0.815 1.00 0.00 C ATOM 0 H PHE A 535 12.608 -4.971 -1.987 1.00 0.00 H new ATOM 0 HA PHE A 535 13.148 -7.317 -0.255 1.00 0.00 H new ATOM 0 HB2 PHE A 535 12.641 -5.375 1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 535 14.255 -5.695 0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 535 15.095 -4.302 -1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 535 11.632 -3.269 1.193 1.00 0.00 H new ATOM 0 HE1 PHE A 535 15.246 -1.994 -1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 535 11.779 -0.961 0.364 1.00 0.00 H new ATOM 0 HZ PHE A 535 13.587 -0.319 -1.179 1.00 0.00 H new ATOM 452 N GLY A 536 10.416 -5.547 -0.723 1.00 0.00 N ATOM 453 CA GLY A 536 8.972 -5.590 -0.584 1.00 0.00 C ATOM 454 C GLY A 536 8.517 -5.602 0.869 1.00 0.00 C ATOM 455 O GLY A 536 8.609 -4.582 1.553 1.00 0.00 O ATOM 0 H GLY A 536 10.771 -4.754 -1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 536 8.538 -4.727 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.590 -6.479 -1.087 1.00 0.00 H new ATOM 459 N PRO A 537 8.012 -6.746 1.374 1.00 0.00 N ATOM 460 CA PRO A 537 7.539 -6.864 2.762 1.00 0.00 C ATOM 461 C PRO A 537 8.632 -6.583 3.795 1.00 0.00 C ATOM 462 O PRO A 537 8.350 -6.461 4.987 1.00 0.00 O ATOM 463 CB PRO A 537 7.077 -8.322 2.868 1.00 0.00 C ATOM 464 CG PRO A 537 6.857 -8.765 1.463 1.00 0.00 C ATOM 465 CD PRO A 537 7.853 -8.010 0.634 1.00 0.00 C ATOM 0 HA PRO A 537 6.758 -6.134 2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 537 7.828 -8.938 3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 537 6.162 -8.403 3.454 1.00 0.00 H new ATOM 0 HG2 PRO A 537 7.003 -9.841 1.365 1.00 0.00 H new ATOM 0 HG3 PRO A 537 5.838 -8.551 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 537 8.797 -8.548 0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.489 -7.841 -0.379 1.00 0.00 H new ATOM 473 N ALA A 538 9.874 -6.482 3.337 1.00 0.00 N ATOM 474 CA ALA A 538 10.997 -6.215 4.227 1.00 0.00 C ATOM 475 C ALA A 538 11.069 -4.734 4.588 1.00 0.00 C ATOM 476 O ALA A 538 11.713 -4.355 5.567 1.00 0.00 O ATOM 477 CB ALA A 538 12.299 -6.674 3.586 1.00 0.00 C ATOM 0 H ALA A 538 10.129 -6.581 2.354 1.00 0.00 H new ATOM 0 HA ALA A 538 10.844 -6.778 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 538 13.129 -6.469 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 538 12.249 -7.745 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 538 12.452 -6.138 2.649 1.00 0.00 H new ATOM 483 N ALA A 539 10.395 -3.903 3.799 1.00 0.00 N ATOM 484 CA ALA A 539 10.370 -2.468 4.041 1.00 0.00 C ATOM 485 C ALA A 539 9.091 -2.066 4.765 1.00 0.00 C ATOM 486 O ALA A 539 8.983 -0.969 5.314 1.00 0.00 O ATOM 487 CB ALA A 539 10.478 -1.719 2.727 1.00 0.00 C ATOM 0 H ALA A 539 9.858 -4.202 2.985 1.00 0.00 H new ATOM 0 HA ALA A 539 11.220 -2.210 4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.459 -0.646 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.413 -1.983 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.640 -1.989 2.084 1.00 0.00 H new ATOM 493 N GLU A 540 8.122 -2.971 4.741 1.00 0.00 N ATOM 494 CA GLU A 540 6.822 -2.762 5.364 1.00 0.00 C ATOM 495 C GLU A 540 6.911 -2.074 6.727 1.00 0.00 C ATOM 496 O GLU A 540 7.242 -2.701 7.733 1.00 0.00 O ATOM 497 CB GLU A 540 6.123 -4.112 5.496 1.00 0.00 C ATOM 498 CG GLU A 540 4.946 -4.279 4.552 1.00 0.00 C ATOM 499 CD GLU A 540 3.984 -5.361 5.003 1.00 0.00 C ATOM 500 OE1 GLU A 540 3.985 -5.692 6.208 1.00 0.00 O ATOM 501 OE2 GLU A 540 3.230 -5.878 4.153 1.00 0.00 O ATOM 0 H GLU A 540 8.217 -3.878 4.285 1.00 0.00 H new ATOM 0 HA GLU A 540 6.250 -2.090 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.845 -4.906 5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 540 5.776 -4.234 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 540 4.411 -3.332 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 540 5.316 -4.520 3.555 1.00 0.00 H new ATOM 508 N GLY A 541 6.576 -0.783 6.750 1.00 0.00 N ATOM 509 CA GLY A 541 6.583 -0.027 7.989 1.00 0.00 C ATOM 510 C GLY A 541 7.636 1.059 8.043 1.00 0.00 C ATOM 511 O GLY A 541 7.619 1.895 8.948 1.00 0.00 O ATOM 0 H GLY A 541 6.299 -0.248 5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 541 5.602 0.426 8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 541 6.741 -0.714 8.821 1.00 0.00 H new ATOM 515 N ILE A 542 8.562 1.051 7.096 1.00 0.00 N ATOM 516 CA ILE A 542 9.623 2.048 7.079 1.00 0.00 C ATOM 517 C ILE A 542 9.361 3.139 6.051 1.00 0.00 C ATOM 518 O ILE A 542 9.762 4.287 6.244 1.00 0.00 O ATOM 519 CB ILE A 542 10.994 1.410 6.793 1.00 0.00 C ATOM 520 CG1 ILE A 542 11.087 0.029 7.444 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.113 2.313 7.290 1.00 0.00 C ATOM 522 CD1 ILE A 542 11.748 -0.996 6.561 1.00 0.00 C ATOM 0 H ILE A 542 8.601 0.372 6.336 1.00 0.00 H new ATOM 0 HA ILE A 542 9.635 2.495 8.073 1.00 0.00 H new ATOM 0 HB ILE A 542 11.103 1.289 5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 542 11.645 0.110 8.377 1.00 0.00 H new ATOM 0 HG13 ILE A 542 10.085 -0.313 7.701 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.076 1.848 7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 542 12.057 3.276 6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.009 2.463 8.365 1.00 0.00 H new ATOM 0 HD11 ILE A 542 11.784 -1.954 7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.178 -1.104 5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 542 12.762 -0.673 6.325 1.00 0.00 H new ATOM 534 N TYR A 543 8.693 2.788 4.955 1.00 0.00 N ATOM 535 CA TYR A 543 8.404 3.778 3.915 1.00 0.00 C ATOM 536 C TYR A 543 7.591 3.201 2.749 1.00 0.00 C ATOM 537 O TYR A 543 6.364 3.130 2.811 1.00 0.00 O ATOM 538 CB TYR A 543 9.709 4.410 3.386 1.00 0.00 C ATOM 539 CG TYR A 543 10.942 3.545 3.564 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.906 2.178 3.312 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.146 4.103 3.978 1.00 0.00 C ATOM 542 CE1 TYR A 543 12.034 1.394 3.469 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.276 3.325 4.135 1.00 0.00 C ATOM 544 CZ TYR A 543 13.216 1.972 3.881 1.00 0.00 C ATOM 545 OH TYR A 543 14.340 1.194 4.038 1.00 0.00 O ATOM 0 H TYR A 543 8.347 1.848 4.764 1.00 0.00 H new ATOM 0 HA TYR A 543 7.790 4.547 4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 543 9.587 4.633 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.870 5.360 3.895 1.00 0.00 H new ATOM 0 HD1 TYR A 543 9.982 1.721 2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.199 5.163 4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 543 11.989 0.333 3.270 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.204 3.775 4.456 1.00 0.00 H new ATOM 0 HH TYR A 543 15.088 1.755 4.332 1.00 0.00 H new ATOM 555 N ILE A 544 8.283 2.833 1.673 1.00 0.00 N ATOM 556 CA ILE A 544 7.644 2.313 0.471 1.00 0.00 C ATOM 557 C ILE A 544 7.076 0.914 0.664 1.00 0.00 C ATOM 558 O ILE A 544 6.003 0.601 0.157 1.00 0.00 O ATOM 559 CB ILE A 544 8.642 2.299 -0.699 1.00 0.00 C ATOM 560 CG1 ILE A 544 9.470 3.587 -0.702 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.907 2.129 -2.015 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.904 3.389 -0.255 1.00 0.00 C ATOM 0 H ILE A 544 9.300 2.887 1.612 1.00 0.00 H new ATOM 0 HA ILE A 544 6.811 2.979 0.248 1.00 0.00 H new ATOM 0 HB ILE A 544 9.320 1.455 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 544 9.467 4.008 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.992 4.317 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 544 8.626 2.121 -2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 544 7.357 1.188 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 544 7.210 2.956 -2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 544 11.429 4.344 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.917 2.997 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 544 11.399 2.683 -0.922 1.00 0.00 H new ATOM 574 N GLU A 545 7.793 0.075 1.395 1.00 0.00 N ATOM 575 CA GLU A 545 7.341 -1.288 1.645 1.00 0.00 C ATOM 576 C GLU A 545 7.149 -2.055 0.342 1.00 0.00 C ATOM 577 O GLU A 545 7.582 -1.613 -0.723 1.00 0.00 O ATOM 578 CB GLU A 545 6.028 -1.271 2.427 1.00 0.00 C ATOM 579 CG GLU A 545 5.941 -0.145 3.446 1.00 0.00 C ATOM 580 CD GLU A 545 4.609 -0.119 4.171 1.00 0.00 C ATOM 581 OE1 GLU A 545 3.917 -1.158 4.178 1.00 0.00 O ATOM 582 OE2 GLU A 545 4.257 0.941 4.730 1.00 0.00 O ATOM 0 H GLU A 545 8.687 0.311 1.825 1.00 0.00 H new ATOM 0 HA GLU A 545 8.109 -1.792 2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.198 -1.180 1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 545 5.908 -2.225 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 545 6.745 -0.255 4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 545 6.095 0.809 2.942 1.00 0.00 H new ATOM 589 N GLY A 546 6.486 -3.203 0.435 1.00 0.00 N ATOM 590 CA GLY A 546 6.231 -4.015 -0.738 1.00 0.00 C ATOM 591 C GLY A 546 4.764 -4.028 -1.111 1.00 0.00 C ATOM 592 O GLY A 546 4.176 -5.088 -1.316 1.00 0.00 O ATOM 0 H GLY A 546 6.120 -3.586 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.815 -3.634 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.567 -5.035 -0.553 1.00 0.00 H new ATOM 596 N LEU A 547 4.173 -2.841 -1.188 1.00 0.00 N ATOM 597 CA LEU A 547 2.761 -2.710 -1.530 1.00 0.00 C ATOM 598 C LEU A 547 2.544 -2.819 -3.042 1.00 0.00 C ATOM 599 O LEU A 547 2.002 -3.812 -3.526 1.00 0.00 O ATOM 600 CB LEU A 547 2.203 -1.387 -0.991 1.00 0.00 C ATOM 601 CG LEU A 547 3.094 -0.155 -1.193 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.460 0.814 -2.182 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.362 0.534 0.138 1.00 0.00 C ATOM 0 H LEU A 547 4.650 -1.955 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 547 2.220 -3.531 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.241 -1.199 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.012 -1.503 0.076 1.00 0.00 H new ATOM 0 HG LEU A 547 4.047 -0.486 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.109 1.680 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.325 0.317 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.491 1.139 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.996 1.406 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.417 0.850 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.865 -0.159 0.812 1.00 0.00 H new ATOM 615 N MET A 548 2.975 -1.797 -3.778 1.00 0.00 N ATOM 616 CA MET A 548 2.848 -1.763 -5.242 1.00 0.00 C ATOM 617 C MET A 548 1.398 -1.604 -5.706 1.00 0.00 C ATOM 618 O MET A 548 1.148 -1.128 -6.814 1.00 0.00 O ATOM 619 CB MET A 548 3.451 -3.023 -5.864 1.00 0.00 C ATOM 620 CG MET A 548 4.963 -3.101 -5.732 1.00 0.00 C ATOM 621 SD MET A 548 5.547 -4.784 -5.466 1.00 0.00 S ATOM 622 CE MET A 548 4.599 -5.231 -4.015 1.00 0.00 C ATOM 0 H MET A 548 3.421 -0.969 -3.383 1.00 0.00 H new ATOM 0 HA MET A 548 3.399 -0.885 -5.580 1.00 0.00 H new ATOM 0 HB2 MET A 548 3.007 -3.900 -5.392 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.184 -3.061 -6.920 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.424 -2.698 -6.634 1.00 0.00 H new ATOM 0 HG3 MET A 548 5.285 -2.473 -4.901 1.00 0.00 H new ATOM 0 HE1 MET A 548 5.155 -5.961 -3.428 1.00 0.00 H new ATOM 0 HE2 MET A 548 4.418 -4.342 -3.411 1.00 0.00 H new ATOM 0 HE3 MET A 548 3.646 -5.662 -4.322 1.00 0.00 H new ATOM 632 N HIS A 549 0.448 -1.994 -4.865 1.00 0.00 N ATOM 633 CA HIS A 549 -0.967 -1.880 -5.209 1.00 0.00 C ATOM 634 C HIS A 549 -1.461 -0.466 -4.942 1.00 0.00 C ATOM 635 O HIS A 549 -2.393 0.009 -5.591 1.00 0.00 O ATOM 636 CB HIS A 549 -1.812 -2.894 -4.420 1.00 0.00 C ATOM 637 CG HIS A 549 -1.173 -3.361 -3.149 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.715 -2.496 -2.178 1.00 0.00 N ATOM 639 CD2 HIS A 549 -0.891 -4.608 -2.701 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.176 -3.188 -1.193 1.00 0.00 C ATOM 641 NE2 HIS A 549 -0.272 -4.472 -1.484 1.00 0.00 N ATOM 0 H HIS A 549 0.629 -2.391 -3.943 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.076 -2.101 -6.271 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.776 -2.443 -4.186 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.010 -3.758 -5.054 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -1.112 -5.536 -3.207 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.268 -2.774 -0.300 1.00 0.00 H new ATOM 0 HE2 HIS A 549 0.060 -5.239 -0.899 1.00 0.00 H new ATOM 650 N ASN A 550 -0.824 0.201 -3.981 1.00 0.00 N ATOM 651 CA ASN A 550 -1.177 1.572 -3.612 1.00 0.00 C ATOM 652 C ASN A 550 -2.409 1.617 -2.707 1.00 0.00 C ATOM 653 O ASN A 550 -2.578 2.568 -1.944 1.00 0.00 O ATOM 654 CB ASN A 550 -1.419 2.429 -4.860 1.00 0.00 C ATOM 655 CG ASN A 550 -0.362 2.213 -5.925 1.00 0.00 C ATOM 656 OD1 ASN A 550 -0.674 2.090 -7.109 1.00 0.00 O ATOM 657 ND2 ASN A 550 0.898 2.167 -5.508 1.00 0.00 N ATOM 0 H ASN A 550 -0.053 -0.190 -3.439 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.332 1.980 -3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.400 2.195 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.435 3.481 -4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 550 1.653 2.025 -6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 550 1.111 2.274 -4.516 1.00 0.00 H new ATOM 664 N GLN A 551 -3.272 0.603 -2.797 1.00 0.00 N ATOM 665 CA GLN A 551 -4.479 0.552 -1.990 1.00 0.00 C ATOM 666 C GLN A 551 -5.498 1.554 -2.505 1.00 0.00 C ATOM 667 O GLN A 551 -5.206 2.741 -2.645 1.00 0.00 O ATOM 668 CB GLN A 551 -4.161 0.818 -0.520 1.00 0.00 C ATOM 669 CG GLN A 551 -3.127 -0.132 0.061 1.00 0.00 C ATOM 670 CD GLN A 551 -3.017 -0.027 1.569 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.390 -0.949 2.296 1.00 0.00 O ATOM 672 NE2 GLN A 551 -2.508 1.101 2.048 1.00 0.00 N ATOM 0 H GLN A 551 -3.151 -0.192 -3.424 1.00 0.00 H new ATOM 0 HA GLN A 551 -4.903 -0.449 -2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -3.802 1.842 -0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.080 0.741 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.387 -1.155 -0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.155 0.078 -0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -2.212 1.839 1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -2.413 1.230 3.055 1.00 0.00 H new ATOM 681 N ASP A 552 -6.690 1.060 -2.800 1.00 0.00 N ATOM 682 CA ASP A 552 -7.756 1.910 -3.320 1.00 0.00 C ATOM 683 C ASP A 552 -9.130 1.259 -3.152 1.00 0.00 C ATOM 684 O ASP A 552 -10.032 1.479 -3.961 1.00 0.00 O ATOM 685 CB ASP A 552 -7.505 2.222 -4.798 1.00 0.00 C ATOM 686 CG ASP A 552 -7.286 3.702 -5.047 1.00 0.00 C ATOM 687 OD1 ASP A 552 -8.235 4.487 -4.835 1.00 0.00 O ATOM 688 OD2 ASP A 552 -6.166 4.076 -5.453 1.00 0.00 O ATOM 0 H ASP A 552 -6.946 0.079 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 552 -7.752 2.836 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -6.633 1.666 -5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -8.354 1.879 -5.388 1.00 0.00 H new ATOM 693 N GLY A 553 -9.286 0.463 -2.098 1.00 0.00 N ATOM 694 CA GLY A 553 -10.557 -0.196 -1.849 1.00 0.00 C ATOM 695 C GLY A 553 -10.469 -1.704 -1.982 1.00 0.00 C ATOM 696 O GLY A 553 -11.256 -2.317 -2.703 1.00 0.00 O ATOM 0 H GLY A 553 -8.557 0.263 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -10.903 0.057 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.302 0.184 -2.548 1.00 0.00 H new ATOM 700 N LEU A 554 -9.508 -2.302 -1.288 1.00 0.00 N ATOM 701 CA LEU A 554 -9.315 -3.746 -1.332 1.00 0.00 C ATOM 702 C LEU A 554 -9.706 -4.397 -0.009 1.00 0.00 C ATOM 703 O LEU A 554 -10.434 -5.389 0.019 1.00 0.00 O ATOM 704 CB LEU A 554 -7.852 -4.068 -1.644 1.00 0.00 C ATOM 705 CG LEU A 554 -7.420 -3.877 -3.103 1.00 0.00 C ATOM 706 CD1 LEU A 554 -7.499 -5.196 -3.856 1.00 0.00 C ATOM 707 CD2 LEU A 554 -8.267 -2.815 -3.792 1.00 0.00 C ATOM 0 H LEU A 554 -8.849 -1.808 -0.687 1.00 0.00 H new ATOM 0 HA LEU A 554 -9.957 -4.146 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.220 -3.442 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -7.660 -5.103 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 554 -6.385 -3.534 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -7.189 -5.044 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.840 -5.925 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -8.524 -5.566 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -7.938 -2.701 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -9.314 -3.118 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -8.156 -1.865 -3.269 1.00 0.00 H new ATOM 719 N ILE A 555 -9.195 -3.840 1.079 1.00 0.00 N ATOM 720 CA ILE A 555 -9.458 -4.363 2.413 1.00 0.00 C ATOM 721 C ILE A 555 -10.704 -3.733 3.042 1.00 0.00 C ATOM 722 O ILE A 555 -11.293 -4.299 3.962 1.00 0.00 O ATOM 723 CB ILE A 555 -8.243 -4.148 3.341 1.00 0.00 C ATOM 724 CG1 ILE A 555 -6.934 -4.373 2.572 1.00 0.00 C ATOM 725 CG2 ILE A 555 -8.318 -5.081 4.537 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.374 -3.118 1.935 1.00 0.00 C ATOM 0 H ILE A 555 -8.590 -3.019 1.064 1.00 0.00 H new ATOM 0 HA ILE A 555 -9.639 -5.432 2.300 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.262 -3.119 3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -6.190 -4.786 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.104 -5.119 1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.454 -4.917 5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -9.232 -4.882 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.322 -6.115 4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -5.449 -3.358 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -7.099 -2.715 1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -6.171 -2.377 2.708 1.00 0.00 H new ATOM 738 N CYS A 556 -11.106 -2.565 2.546 1.00 0.00 N ATOM 739 CA CYS A 556 -12.290 -1.883 3.069 1.00 0.00 C ATOM 740 C CYS A 556 -13.548 -2.708 2.851 1.00 0.00 C ATOM 741 O CYS A 556 -14.586 -2.443 3.458 1.00 0.00 O ATOM 742 CB CYS A 556 -12.449 -0.502 2.423 1.00 0.00 C ATOM 743 SG CYS A 556 -13.702 0.572 3.212 1.00 0.00 S ATOM 0 H CYS A 556 -10.634 -2.073 1.788 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.148 -1.757 4.142 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.486 0.008 2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.713 -0.635 1.374 1.00 0.00 H new ATOM 748 N GLY A 557 -13.454 -3.712 1.992 1.00 0.00 N ATOM 749 CA GLY A 557 -14.592 -4.554 1.728 1.00 0.00 C ATOM 750 C GLY A 557 -14.223 -5.748 0.885 1.00 0.00 C ATOM 751 O GLY A 557 -13.351 -6.535 1.253 1.00 0.00 O ATOM 0 H GLY A 557 -12.609 -3.955 1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.019 -4.894 2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.362 -3.974 1.219 1.00 0.00 H new ATOM 755 N LEU A 558 -14.894 -5.883 -0.243 1.00 0.00 N ATOM 756 CA LEU A 558 -14.647 -6.992 -1.147 1.00 0.00 C ATOM 757 C LEU A 558 -14.816 -6.544 -2.596 1.00 0.00 C ATOM 758 O LEU A 558 -14.060 -6.954 -3.477 1.00 0.00 O ATOM 759 CB LEU A 558 -15.589 -8.156 -0.821 1.00 0.00 C ATOM 760 CG LEU A 558 -16.677 -7.849 0.219 1.00 0.00 C ATOM 761 CD1 LEU A 558 -17.789 -8.883 0.147 1.00 0.00 C ATOM 762 CD2 LEU A 558 -16.083 -7.794 1.625 1.00 0.00 C ATOM 0 H LEU A 558 -15.617 -5.236 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.620 -7.333 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.072 -8.480 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -14.993 -8.995 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 558 -17.101 -6.871 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -18.551 -8.650 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -18.236 -8.868 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -17.379 -9.873 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -16.872 -7.575 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -15.628 -8.755 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -15.324 -7.012 1.669 1.00 0.00 H new ATOM 774 N ARG A 559 -15.803 -5.685 -2.830 1.00 0.00 N ATOM 775 CA ARG A 559 -16.065 -5.158 -4.163 1.00 0.00 C ATOM 776 C ARG A 559 -15.772 -3.659 -4.214 1.00 0.00 C ATOM 777 O ARG A 559 -16.269 -2.948 -5.088 1.00 0.00 O ATOM 778 CB ARG A 559 -17.519 -5.422 -4.567 1.00 0.00 C ATOM 779 CG ARG A 559 -18.510 -5.246 -3.428 1.00 0.00 C ATOM 780 CD ARG A 559 -19.829 -4.671 -3.918 1.00 0.00 C ATOM 781 NE ARG A 559 -20.498 -3.881 -2.887 1.00 0.00 N ATOM 782 CZ ARG A 559 -21.437 -2.973 -3.141 1.00 0.00 C ATOM 783 NH1 ARG A 559 -21.827 -2.740 -4.389 1.00 0.00 N ATOM 784 NH2 ARG A 559 -21.992 -2.296 -2.145 1.00 0.00 N ATOM 0 H ARG A 559 -16.437 -5.338 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 559 -15.407 -5.667 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -17.789 -4.748 -5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -17.601 -6.437 -4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -18.688 -6.208 -2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -18.083 -4.587 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -19.650 -4.047 -4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -20.484 -5.483 -4.234 1.00 0.00 H new ATOM 0 HE ARG A 559 -20.229 -4.035 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -21.406 -3.259 -5.160 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -22.547 -2.043 -4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -21.699 -2.471 -1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -22.712 -1.600 -2.340 1.00 0.00 H new ATOM 798 N GLN A 560 -14.961 -3.185 -3.268 1.00 0.00 N ATOM 799 CA GLN A 560 -14.599 -1.773 -3.199 1.00 0.00 C ATOM 800 C GLN A 560 -13.825 -1.350 -4.444 1.00 0.00 C ATOM 801 O GLN A 560 -14.237 -0.361 -5.087 1.00 0.00 O ATOM 802 CB GLN A 560 -13.760 -1.504 -1.942 1.00 0.00 C ATOM 803 CG GLN A 560 -14.544 -0.908 -0.777 1.00 0.00 C ATOM 804 CD GLN A 560 -15.986 -1.378 -0.721 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.183 -2.691 -0.773 1.00 0.00 O flip ATOM 806 NE2 GLN A 560 -16.912 -0.570 -0.633 1.00 0.00 N flip ATOM 807 OXT GLN A 560 -12.816 -2.010 -4.766 1.00 0.00 O ATOM 0 H GLN A 560 -14.542 -3.762 -2.538 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.516 -1.187 -3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.305 -2.439 -1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -12.946 -0.826 -2.201 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -14.047 -1.169 0.158 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.526 0.179 -0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.714 0.430 -0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.876 -0.901 -0.597 1.00 0.00 H new