USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=12 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= -5.94! C(o=-5.2!,f=-10!) USER MOD Set 1.2: A 550 ASN :FLIP amide:sc= 0.722 F(o=-8.7,f=-5.2) USER MOD Set 2.1: A 512 ASN :FLIP amide:sc= -0.0783 F(o=-3,f=-0.078) USER MOD Set 2.2: A 516 HIS :FLIP no HD1:sc= 0 X(o=-0.11,f=-0.078) USER MOD Single : A 508 GLN : amide:sc= 0.0488 K(o=0.049,f=-2.7!) USER MOD Single : A 510 LYS NZ :NH3+ -131:sc= -0.688 (180deg=-0.811) USER MOD Single : A 514 ASN :FLIP amide:sc= -0.584 F(o=-1.7,f=-0.58) 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 -151:sc= 1.11 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 -146:sc= -6.41! (180deg=-9.76!) USER MOD Single : A 549 HIS : no HD1:sc= -5.85! C(o=-5.8!,f=-5.4!) USER MOD Single : A 551 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.4!) USER MOD Single : A 560 GLN :FLIP amide:sc= -2.98! C(o=-6.6!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -11.581 -8.866 -1.139 1.00 0.00 N ATOM 2 CA ALA A 507 -11.428 -10.164 -0.431 1.00 0.00 C ATOM 3 C ALA A 507 -10.502 -10.024 0.773 1.00 0.00 C ATOM 4 O ALA A 507 -9.466 -10.684 0.853 1.00 0.00 O ATOM 5 CB ALA A 507 -10.901 -11.225 -1.386 1.00 0.00 C ATOM 0 HA ALA A 507 -12.408 -10.473 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -10.793 -12.171 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -11.600 -11.350 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -9.931 -10.915 -1.775 1.00 0.00 H new ATOM 13 N GLN A 508 -10.881 -9.158 1.707 1.00 0.00 N ATOM 14 CA GLN A 508 -10.079 -8.931 2.905 1.00 0.00 C ATOM 15 C GLN A 508 -10.777 -7.952 3.853 1.00 0.00 C ATOM 16 O GLN A 508 -11.114 -6.834 3.466 1.00 0.00 O ATOM 17 CB GLN A 508 -8.691 -8.405 2.526 1.00 0.00 C ATOM 18 CG GLN A 508 -8.691 -7.436 1.348 1.00 0.00 C ATOM 19 CD GLN A 508 -7.527 -7.671 0.403 1.00 0.00 C ATOM 20 OE1 GLN A 508 -6.588 -6.876 0.349 1.00 0.00 O ATOM 21 NE2 GLN A 508 -7.583 -8.764 -0.348 1.00 0.00 N ATOM 0 H GLN A 508 -11.736 -8.603 1.658 1.00 0.00 H new ATOM 0 HA GLN A 508 -9.965 -9.884 3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.254 -7.907 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -8.047 -9.251 2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -9.627 -7.537 0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -8.650 -6.413 1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -8.380 -9.396 -0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -6.829 -8.972 -1.002 1.00 0.00 H new ATOM 30 N PRO A 509 -11.030 -8.375 5.107 1.00 0.00 N ATOM 31 CA PRO A 509 -11.712 -7.562 6.111 1.00 0.00 C ATOM 32 C PRO A 509 -10.756 -6.862 7.076 1.00 0.00 C ATOM 33 O PRO A 509 -10.249 -7.470 8.018 1.00 0.00 O ATOM 34 CB PRO A 509 -12.490 -8.630 6.849 1.00 0.00 C ATOM 35 CG PRO A 509 -11.495 -9.731 6.952 1.00 0.00 C ATOM 36 CD PRO A 509 -10.711 -9.705 5.658 1.00 0.00 C ATOM 0 HA PRO A 509 -12.295 -6.751 5.675 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -12.821 -8.288 7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -13.381 -8.937 6.301 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -10.838 -9.585 7.809 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -11.990 -10.693 7.090 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -9.642 -9.825 5.831 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -11.017 -10.505 4.984 1.00 0.00 H new ATOM 44 N LYS A 510 -10.537 -5.583 6.844 1.00 0.00 N ATOM 45 CA LYS A 510 -9.661 -4.780 7.697 1.00 0.00 C ATOM 46 C LYS A 510 -10.082 -3.316 7.672 1.00 0.00 C ATOM 47 O LYS A 510 -10.196 -2.666 8.710 1.00 0.00 O ATOM 48 CB LYS A 510 -8.204 -4.918 7.255 1.00 0.00 C ATOM 49 CG LYS A 510 -7.460 -6.042 7.956 1.00 0.00 C ATOM 50 CD LYS A 510 -6.216 -6.456 7.183 1.00 0.00 C ATOM 51 CE LYS A 510 -6.296 -7.906 6.733 1.00 0.00 C ATOM 52 NZ LYS A 510 -6.766 -8.026 5.325 1.00 0.00 N ATOM 0 H LYS A 510 -10.953 -5.068 6.068 1.00 0.00 H new ATOM 0 HA LYS A 510 -9.750 -5.150 8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.174 -5.089 6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -7.685 -3.978 7.443 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -7.177 -5.722 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.121 -6.901 8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.095 -5.810 6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -5.334 -6.316 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -5.315 -8.370 6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -6.973 -8.453 7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -7.531 -8.729 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -7.120 -7.105 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -5.976 -8.328 4.720 1.00 0.00 H new ATOM 66 N CYS A 511 -10.318 -2.821 6.469 1.00 0.00 N ATOM 67 CA CYS A 511 -10.742 -1.444 6.246 1.00 0.00 C ATOM 68 C CYS A 511 -9.594 -0.460 6.407 1.00 0.00 C ATOM 69 O CYS A 511 -9.758 0.622 6.969 1.00 0.00 O ATOM 70 CB CYS A 511 -11.911 -1.068 7.161 1.00 0.00 C ATOM 71 SG CYS A 511 -13.494 -0.863 6.277 1.00 0.00 S ATOM 0 H CYS A 511 -10.221 -3.365 5.612 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.083 -1.381 5.213 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.027 -1.838 7.923 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -11.671 -0.140 7.680 1.00 0.00 H new ATOM 76 N ASN A 512 -8.441 -0.830 5.870 1.00 0.00 N ATOM 77 CA ASN A 512 -7.275 0.034 5.911 1.00 0.00 C ATOM 78 C ASN A 512 -6.649 0.162 4.520 1.00 0.00 C ATOM 79 O ASN A 512 -5.426 0.149 4.380 1.00 0.00 O ATOM 80 CB ASN A 512 -6.238 -0.495 6.904 1.00 0.00 C ATOM 81 CG ASN A 512 -5.307 0.589 7.433 1.00 0.00 C ATOM 82 OD1 ASN A 512 -5.275 1.747 6.770 1.00 0.00 O flip ATOM 83 ND2 ASN A 512 -4.619 0.389 8.433 1.00 0.00 N flip ATOM 0 H ASN A 512 -8.290 -1.723 5.401 1.00 0.00 H new ATOM 0 HA ASN A 512 -7.601 1.020 6.242 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -6.753 -0.964 7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -5.644 -1.271 6.421 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -4.669 -0.509 8.915 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -3.999 1.121 8.780 1.00 0.00 H new ATOM 90 N PRO A 513 -7.480 0.279 3.462 1.00 0.00 N ATOM 91 CA PRO A 513 -6.999 0.398 2.087 1.00 0.00 C ATOM 92 C PRO A 513 -6.703 1.851 1.680 1.00 0.00 C ATOM 93 O PRO A 513 -5.689 2.417 2.088 1.00 0.00 O ATOM 94 CB PRO A 513 -8.178 -0.171 1.305 1.00 0.00 C ATOM 95 CG PRO A 513 -9.355 0.346 2.054 1.00 0.00 C ATOM 96 CD PRO A 513 -8.958 0.292 3.508 1.00 0.00 C ATOM 0 HA PRO A 513 -6.051 -0.113 1.917 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.177 0.169 0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.160 -1.261 1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -9.598 1.364 1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.239 -0.262 1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -9.335 1.154 4.059 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.352 -0.598 3.999 1.00 0.00 H new ATOM 104 N ASN A 514 -7.580 2.445 0.862 1.00 0.00 N ATOM 105 CA ASN A 514 -7.397 3.809 0.394 1.00 0.00 C ATOM 106 C ASN A 514 -7.696 4.838 1.486 1.00 0.00 C ATOM 107 O ASN A 514 -7.571 6.042 1.262 1.00 0.00 O ATOM 108 CB ASN A 514 -8.289 4.054 -0.830 1.00 0.00 C ATOM 109 CG ASN A 514 -9.626 4.688 -0.481 1.00 0.00 C ATOM 110 OD1 ASN A 514 -10.535 3.889 0.068 1.00 0.00 O flip ATOM 111 ND2 ASN A 514 -9.838 5.880 -0.702 1.00 0.00 N flip ATOM 0 H ASN A 514 -8.425 1.993 0.513 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.350 3.932 0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -7.761 4.699 -1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -8.466 3.106 -1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -9.111 6.457 -1.125 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -10.740 6.291 -0.462 1.00 0.00 H new ATOM 118 N LEU A 515 -8.097 4.371 2.661 1.00 0.00 N ATOM 119 CA LEU A 515 -8.414 5.272 3.759 1.00 0.00 C ATOM 120 C LEU A 515 -7.222 5.428 4.698 1.00 0.00 C ATOM 121 O LEU A 515 -7.376 5.459 5.919 1.00 0.00 O ATOM 122 CB LEU A 515 -9.643 4.762 4.513 1.00 0.00 C ATOM 123 CG LEU A 515 -10.901 4.581 3.650 1.00 0.00 C ATOM 124 CD1 LEU A 515 -11.013 5.697 2.618 1.00 0.00 C ATOM 125 CD2 LEU A 515 -10.889 3.222 2.963 1.00 0.00 C ATOM 0 H LEU A 515 -8.210 3.380 2.877 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.640 6.256 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.397 3.806 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.871 5.458 5.320 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.771 4.630 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -11.911 5.549 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.071 6.659 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.137 5.682 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -11.788 3.113 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -10.009 3.145 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.861 2.434 3.716 1.00 0.00 H new ATOM 137 N HIS A 516 -6.035 5.533 4.105 1.00 0.00 N ATOM 138 CA HIS A 516 -4.793 5.695 4.855 1.00 0.00 C ATOM 139 C HIS A 516 -3.600 5.692 3.906 1.00 0.00 C ATOM 140 O HIS A 516 -2.620 6.404 4.117 1.00 0.00 O ATOM 141 CB HIS A 516 -4.631 4.578 5.889 1.00 0.00 C ATOM 142 CG HIS A 516 -3.610 4.883 6.941 1.00 0.00 C ATOM 143 ND1 HIS A 516 -3.306 6.042 7.573 1.00 0.00 N flip ATOM 144 CD2 HIS A 516 -2.757 3.932 7.461 1.00 0.00 C flip ATOM 145 CE1 HIS A 516 -2.286 5.771 8.451 1.00 0.00 C flip ATOM 146 NE2 HIS A 516 -1.974 4.491 8.366 1.00 0.00 N flip ATOM 0 H HIS A 516 -5.908 5.508 3.093 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.836 6.651 5.378 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.592 4.395 6.369 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -4.350 3.658 5.377 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -2.733 2.891 7.173 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -1.815 6.489 9.106 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -1.252 4.015 8.907 1.00 0.00 H new ATOM 155 N TYR A 517 -3.701 4.876 2.858 1.00 0.00 N ATOM 156 CA TYR A 517 -2.644 4.746 1.850 1.00 0.00 C ATOM 157 C TYR A 517 -1.980 6.094 1.540 1.00 0.00 C ATOM 158 O TYR A 517 -0.760 6.180 1.409 1.00 0.00 O ATOM 159 CB TYR A 517 -3.223 4.122 0.572 1.00 0.00 C ATOM 160 CG TYR A 517 -3.966 5.098 -0.322 1.00 0.00 C ATOM 161 CD1 TYR A 517 -5.064 5.806 0.150 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.572 5.303 -1.637 1.00 0.00 C ATOM 163 CE1 TYR A 517 -5.748 6.691 -0.663 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.249 6.188 -2.457 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.336 6.878 -1.964 1.00 0.00 C ATOM 166 OH TYR A 517 -6.013 7.759 -2.777 1.00 0.00 O ATOM 0 H TYR A 517 -4.515 4.287 2.682 1.00 0.00 H new ATOM 0 HA TYR A 517 -1.870 4.093 2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.410 3.672 0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -3.901 3.315 0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.389 5.663 1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -2.722 4.762 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.600 7.233 -0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -3.928 6.337 -3.477 1.00 0.00 H new ATOM 0 HH TYR A 517 -5.594 7.775 -3.663 1.00 0.00 H new ATOM 176 N TRP A 518 -2.794 7.140 1.437 1.00 0.00 N ATOM 177 CA TRP A 518 -2.300 8.484 1.155 1.00 0.00 C ATOM 178 C TRP A 518 -1.452 9.001 2.311 1.00 0.00 C ATOM 179 O TRP A 518 -1.936 9.744 3.164 1.00 0.00 O ATOM 180 CB TRP A 518 -3.481 9.428 0.925 1.00 0.00 C ATOM 181 CG TRP A 518 -4.584 9.234 1.924 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.465 8.724 3.185 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.971 9.534 1.743 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.691 8.692 3.800 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.633 9.186 2.936 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.715 10.066 0.689 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -8.006 9.354 3.100 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -8.079 10.232 0.853 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.711 9.877 2.051 1.00 0.00 C ATOM 0 H TRP A 518 -3.807 7.082 1.546 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.680 8.444 0.259 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -3.131 10.459 0.973 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.875 9.272 -0.079 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.540 8.394 3.633 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.872 8.355 4.746 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -6.235 10.343 -0.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.496 9.081 4.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.665 10.642 0.044 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.777 10.019 2.149 1.00 0.00 H new ATOM 200 N THR A 519 -0.191 8.594 2.348 1.00 0.00 N ATOM 201 CA THR A 519 0.702 9.011 3.419 1.00 0.00 C ATOM 202 C THR A 519 2.139 8.627 3.112 1.00 0.00 C ATOM 203 O THR A 519 3.036 9.470 3.099 1.00 0.00 O ATOM 204 CB THR A 519 0.255 8.358 4.721 1.00 0.00 C ATOM 205 OG1 THR A 519 1.204 8.573 5.751 1.00 0.00 O ATOM 206 CG2 THR A 519 0.039 6.867 4.591 1.00 0.00 C ATOM 0 H THR A 519 0.234 7.980 1.654 1.00 0.00 H new ATOM 0 HA THR A 519 0.658 10.096 3.513 1.00 0.00 H new ATOM 0 HB THR A 519 -0.696 8.829 4.969 1.00 0.00 H new ATOM 0 HG1 THR A 519 0.893 8.146 6.576 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.278 6.460 5.551 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.731 6.675 3.843 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.970 6.390 4.284 1.00 0.00 H new ATOM 214 N THR A 520 2.342 7.345 2.853 1.00 0.00 N ATOM 215 CA THR A 520 3.657 6.825 2.525 1.00 0.00 C ATOM 216 C THR A 520 3.604 6.078 1.196 1.00 0.00 C ATOM 217 O THR A 520 4.628 5.622 0.689 1.00 0.00 O ATOM 218 CB THR A 520 4.171 5.913 3.646 1.00 0.00 C ATOM 219 OG1 THR A 520 5.571 5.738 3.543 1.00 0.00 O ATOM 220 CG2 THR A 520 3.536 4.536 3.658 1.00 0.00 C ATOM 0 H THR A 520 1.604 6.641 2.864 1.00 0.00 H new ATOM 0 HA THR A 520 4.352 7.659 2.427 1.00 0.00 H new ATOM 0 HB THR A 520 3.897 6.421 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.819 4.864 3.910 1.00 0.00 H new ATOM 0 HG21 THR A 520 3.951 3.951 4.479 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.458 4.633 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.741 4.032 2.713 1.00 0.00 H new ATOM 228 N GLN A 521 2.401 5.966 0.631 1.00 0.00 N ATOM 229 CA GLN A 521 2.222 5.291 -0.639 1.00 0.00 C ATOM 230 C GLN A 521 2.231 6.308 -1.776 1.00 0.00 C ATOM 231 O GLN A 521 2.791 6.073 -2.844 1.00 0.00 O ATOM 232 CB GLN A 521 0.922 4.472 -0.636 1.00 0.00 C ATOM 233 CG GLN A 521 -0.297 5.235 -1.130 1.00 0.00 C ATOM 234 CD GLN A 521 -0.385 5.273 -2.640 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.226 4.252 -3.310 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.639 6.453 -3.181 1.00 0.00 N ATOM 0 H GLN A 521 1.542 6.336 1.038 1.00 0.00 H new ATOM 0 HA GLN A 521 3.050 4.599 -0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 521 1.061 3.589 -1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.730 4.120 0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.198 4.772 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.264 6.254 -0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.763 7.271 -2.585 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -0.711 6.545 -4.194 1.00 0.00 H new ATOM 245 N ASP A 522 1.625 7.449 -1.518 1.00 0.00 N ATOM 246 CA ASP A 522 1.573 8.534 -2.494 1.00 0.00 C ATOM 247 C ASP A 522 2.802 9.429 -2.363 1.00 0.00 C ATOM 248 O ASP A 522 2.931 10.443 -3.050 1.00 0.00 O ATOM 249 CB ASP A 522 0.304 9.361 -2.300 1.00 0.00 C ATOM 250 CG ASP A 522 -0.490 9.512 -3.582 1.00 0.00 C ATOM 251 OD1 ASP A 522 0.115 9.860 -4.618 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.718 9.285 -3.549 1.00 0.00 O ATOM 0 H ASP A 522 1.157 7.656 -0.636 1.00 0.00 H new ATOM 0 HA ASP A 522 1.562 8.098 -3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.321 8.889 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.571 10.348 -1.923 1.00 0.00 H new ATOM 257 N GLU A 523 3.692 9.034 -1.469 1.00 0.00 N ATOM 258 CA GLU A 523 4.922 9.764 -1.206 1.00 0.00 C ATOM 259 C GLU A 523 6.088 8.789 -1.141 1.00 0.00 C ATOM 260 O GLU A 523 7.239 9.150 -1.389 1.00 0.00 O ATOM 261 CB GLU A 523 4.797 10.540 0.106 1.00 0.00 C ATOM 262 CG GLU A 523 3.358 10.876 0.463 1.00 0.00 C ATOM 263 CD GLU A 523 3.242 12.128 1.311 1.00 0.00 C ATOM 264 OE1 GLU A 523 3.705 12.105 2.471 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.687 13.131 0.816 1.00 0.00 O ATOM 0 H GLU A 523 3.582 8.193 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 523 5.102 10.475 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 523 5.238 9.953 0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.372 11.463 0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.782 11.008 -0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.916 10.037 0.999 1.00 0.00 H new ATOM 272 N GLY A 524 5.766 7.543 -0.819 1.00 0.00 N ATOM 273 CA GLY A 524 6.764 6.503 -0.742 1.00 0.00 C ATOM 274 C GLY A 524 6.501 5.408 -1.755 1.00 0.00 C ATOM 275 O GLY A 524 7.429 4.761 -2.236 1.00 0.00 O ATOM 0 H GLY A 524 4.817 7.235 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.752 6.931 -0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.772 6.078 0.262 1.00 0.00 H new ATOM 279 N ALA A 525 5.227 5.213 -2.096 1.00 0.00 N ATOM 280 CA ALA A 525 4.846 4.200 -3.075 1.00 0.00 C ATOM 281 C ALA A 525 4.552 4.841 -4.423 1.00 0.00 C ATOM 282 O ALA A 525 3.850 4.275 -5.262 1.00 0.00 O ATOM 283 CB ALA A 525 3.642 3.410 -2.578 1.00 0.00 C ATOM 0 H ALA A 525 4.445 5.742 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 525 5.680 3.511 -3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.369 2.658 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 525 3.892 2.919 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 525 2.802 4.087 -2.422 1.00 0.00 H new ATOM 289 N ALA A 526 5.094 6.036 -4.610 1.00 0.00 N ATOM 290 CA ALA A 526 4.902 6.791 -5.843 1.00 0.00 C ATOM 291 C ALA A 526 6.175 7.513 -6.279 1.00 0.00 C ATOM 292 O ALA A 526 6.206 8.153 -7.331 1.00 0.00 O ATOM 293 CB ALA A 526 3.780 7.799 -5.657 1.00 0.00 C ATOM 0 H ALA A 526 5.675 6.508 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 526 4.641 6.080 -6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.639 8.361 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 526 2.858 7.275 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.037 8.485 -4.850 1.00 0.00 H new ATOM 299 N ILE A 527 7.218 7.425 -5.463 1.00 0.00 N ATOM 300 CA ILE A 527 8.481 8.084 -5.758 1.00 0.00 C ATOM 301 C ILE A 527 9.660 7.264 -5.240 1.00 0.00 C ATOM 302 O ILE A 527 10.706 7.188 -5.884 1.00 0.00 O ATOM 303 CB ILE A 527 8.535 9.497 -5.132 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.472 9.644 -4.028 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.361 10.562 -6.209 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.144 10.205 -4.503 1.00 0.00 C ATOM 0 H ILE A 527 7.212 6.901 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 527 8.551 8.171 -6.842 1.00 0.00 H new ATOM 0 HB ILE A 527 9.514 9.637 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.299 8.667 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 527 7.867 10.292 -3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.401 11.551 -5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.160 10.469 -6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.397 10.428 -6.701 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.456 10.274 -3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.299 11.197 -4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 527 5.722 9.547 -5.263 1.00 0.00 H new ATOM 318 N GLY A 528 9.485 6.654 -4.070 1.00 0.00 N ATOM 319 CA GLY A 528 10.541 5.853 -3.486 1.00 0.00 C ATOM 320 C GLY A 528 10.826 4.593 -4.276 1.00 0.00 C ATOM 321 O GLY A 528 11.006 4.644 -5.492 1.00 0.00 O ATOM 0 H GLY A 528 8.629 6.702 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.451 6.450 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.265 5.583 -2.467 1.00 0.00 H new ATOM 325 N LEU A 529 10.886 3.461 -3.581 1.00 0.00 N ATOM 326 CA LEU A 529 11.172 2.190 -4.235 1.00 0.00 C ATOM 327 C LEU A 529 10.113 1.129 -3.926 1.00 0.00 C ATOM 328 O LEU A 529 10.361 0.186 -3.173 1.00 0.00 O ATOM 329 CB LEU A 529 12.559 1.697 -3.819 1.00 0.00 C ATOM 330 CG LEU A 529 13.645 1.851 -4.883 1.00 0.00 C ATOM 331 CD1 LEU A 529 13.834 3.316 -5.246 1.00 0.00 C ATOM 332 CD2 LEU A 529 14.955 1.247 -4.399 1.00 0.00 C ATOM 0 H LEU A 529 10.742 3.398 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 529 11.150 2.358 -5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.868 2.239 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.487 0.645 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 529 13.328 1.314 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 529 14.611 3.405 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 529 12.899 3.718 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 529 14.128 3.876 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 529 15.717 1.366 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 529 15.276 1.755 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 529 14.812 0.187 -4.191 1.00 0.00 H new ATOM 344 N ALA A 530 8.942 1.278 -4.539 1.00 0.00 N ATOM 345 CA ALA A 530 7.843 0.326 -4.369 1.00 0.00 C ATOM 346 C ALA A 530 7.757 -0.587 -5.585 1.00 0.00 C ATOM 347 O ALA A 530 7.381 -1.756 -5.493 1.00 0.00 O ATOM 348 CB ALA A 530 6.529 1.065 -4.184 1.00 0.00 C ATOM 0 H ALA A 530 8.727 2.055 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 530 8.034 -0.276 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.721 0.344 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.590 1.699 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.332 1.682 -5.061 1.00 0.00 H new ATOM 354 N TRP A 531 8.125 -0.018 -6.722 1.00 0.00 N ATOM 355 CA TRP A 531 8.128 -0.716 -8.004 1.00 0.00 C ATOM 356 C TRP A 531 9.259 -1.735 -8.050 1.00 0.00 C ATOM 357 O TRP A 531 9.248 -2.661 -8.861 1.00 0.00 O ATOM 358 CB TRP A 531 8.326 0.308 -9.127 1.00 0.00 C ATOM 359 CG TRP A 531 9.075 1.516 -8.658 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.370 1.559 -8.235 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.556 2.841 -8.512 1.00 0.00 C ATOM 362 NE1 TRP A 531 10.692 2.829 -7.834 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.596 3.640 -8.002 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.315 3.429 -8.769 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.429 5.000 -7.741 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.150 4.777 -8.510 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.202 5.549 -8.001 1.00 0.00 C ATOM 0 H TRP A 531 8.434 0.952 -6.784 1.00 0.00 H new ATOM 0 HA TRP A 531 7.179 -1.237 -8.130 1.00 0.00 H new ATOM 0 HB2 TRP A 531 8.868 -0.157 -9.951 1.00 0.00 H new ATOM 0 HB3 TRP A 531 7.354 0.612 -9.516 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.044 0.715 -8.218 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.598 3.124 -7.470 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.499 2.841 -9.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.238 5.598 -7.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.195 5.242 -8.703 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.042 6.600 -7.810 1.00 0.00 H new ATOM 378 N ILE A 532 10.240 -1.543 -7.178 1.00 0.00 N ATOM 379 CA ILE A 532 11.396 -2.418 -7.110 1.00 0.00 C ATOM 380 C ILE A 532 11.168 -3.571 -6.126 1.00 0.00 C ATOM 381 O ILE A 532 11.052 -3.357 -4.920 1.00 0.00 O ATOM 382 CB ILE A 532 12.641 -1.607 -6.704 1.00 0.00 C ATOM 383 CG1 ILE A 532 13.892 -2.477 -6.698 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.442 -0.945 -5.350 1.00 0.00 C ATOM 385 CD1 ILE A 532 15.119 -1.724 -7.156 1.00 0.00 C ATOM 0 H ILE A 532 10.254 -0.779 -6.502 1.00 0.00 H new ATOM 0 HA ILE A 532 11.553 -2.852 -8.097 1.00 0.00 H new ATOM 0 HB ILE A 532 12.781 -0.825 -7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.059 -2.861 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 532 13.735 -3.339 -7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.336 -0.379 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 532 11.586 -0.271 -5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.261 -1.709 -4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 532 15.983 -2.388 -7.134 1.00 0.00 H new ATOM 0 HD12 ILE A 532 14.966 -1.362 -8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 532 15.295 -0.877 -6.493 1.00 0.00 H new ATOM 397 N PRO A 533 11.090 -4.817 -6.630 1.00 0.00 N ATOM 398 CA PRO A 533 10.868 -5.993 -5.789 1.00 0.00 C ATOM 399 C PRO A 533 12.155 -6.493 -5.141 1.00 0.00 C ATOM 400 O PRO A 533 12.574 -7.629 -5.364 1.00 0.00 O ATOM 401 CB PRO A 533 10.332 -7.020 -6.782 1.00 0.00 C ATOM 402 CG PRO A 533 10.994 -6.673 -8.072 1.00 0.00 C ATOM 403 CD PRO A 533 11.201 -5.178 -8.058 1.00 0.00 C ATOM 0 HA PRO A 533 10.197 -5.788 -4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 533 10.575 -8.036 -6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 533 9.247 -6.963 -6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 533 11.945 -7.196 -8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 533 10.375 -6.971 -8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.175 -4.906 -8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 533 10.450 -4.665 -8.659 1.00 0.00 H new ATOM 411 N TYR A 534 12.781 -5.635 -4.343 1.00 0.00 N ATOM 412 CA TYR A 534 14.023 -5.985 -3.670 1.00 0.00 C ATOM 413 C TYR A 534 13.779 -6.364 -2.211 1.00 0.00 C ATOM 414 O TYR A 534 14.248 -7.402 -1.744 1.00 0.00 O ATOM 415 CB TYR A 534 15.003 -4.815 -3.743 1.00 0.00 C ATOM 416 CG TYR A 534 16.401 -5.174 -3.303 1.00 0.00 C ATOM 417 CD1 TYR A 534 17.043 -6.288 -3.822 1.00 0.00 C ATOM 418 CD2 TYR A 534 17.077 -4.399 -2.371 1.00 0.00 C ATOM 419 CE1 TYR A 534 18.324 -6.623 -3.423 1.00 0.00 C ATOM 420 CE2 TYR A 534 18.358 -4.726 -1.967 1.00 0.00 C ATOM 421 CZ TYR A 534 18.977 -5.839 -2.497 1.00 0.00 C ATOM 422 OH TYR A 534 20.252 -6.168 -2.098 1.00 0.00 O ATOM 0 H TYR A 534 12.447 -4.691 -4.147 1.00 0.00 H new ATOM 0 HA TYR A 534 14.448 -6.851 -4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 534 15.037 -4.443 -4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 534 14.632 -4.001 -3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 534 16.535 -6.904 -4.549 1.00 0.00 H new ATOM 0 HD2 TYR A 534 16.595 -3.527 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 534 18.810 -7.495 -3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 534 18.871 -4.113 -1.240 1.00 0.00 H new ATOM 0 HH TYR A 534 20.569 -5.513 -1.442 1.00 0.00 H new ATOM 432 N PHE A 535 13.054 -5.512 -1.493 1.00 0.00 N ATOM 433 CA PHE A 535 12.761 -5.756 -0.083 1.00 0.00 C ATOM 434 C PHE A 535 11.264 -5.939 0.148 1.00 0.00 C ATOM 435 O PHE A 535 10.849 -6.792 0.932 1.00 0.00 O ATOM 436 CB PHE A 535 13.284 -4.601 0.780 1.00 0.00 C ATOM 437 CG PHE A 535 13.458 -3.310 0.027 1.00 0.00 C ATOM 438 CD1 PHE A 535 12.369 -2.494 -0.236 1.00 0.00 C ATOM 439 CD2 PHE A 535 14.709 -2.918 -0.421 1.00 0.00 C ATOM 440 CE1 PHE A 535 12.526 -1.310 -0.931 1.00 0.00 C ATOM 441 CE2 PHE A 535 14.872 -1.735 -1.117 1.00 0.00 C ATOM 442 CZ PHE A 535 13.778 -0.930 -1.373 1.00 0.00 C ATOM 0 H PHE A 535 12.659 -4.647 -1.863 1.00 0.00 H new ATOM 0 HA PHE A 535 13.267 -6.677 0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 535 12.594 -4.438 1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 535 14.241 -4.889 1.214 1.00 0.00 H new ATOM 0 HD1 PHE A 535 11.387 -2.787 0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 535 15.567 -3.544 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 535 11.670 -0.682 -1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 535 15.853 -1.440 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 535 13.902 -0.006 -1.918 1.00 0.00 H new ATOM 452 N GLY A 536 10.457 -5.132 -0.535 1.00 0.00 N ATOM 453 CA GLY A 536 9.013 -5.223 -0.386 1.00 0.00 C ATOM 454 C GLY A 536 8.571 -5.219 1.070 1.00 0.00 C ATOM 455 O GLY A 536 8.575 -4.170 1.715 1.00 0.00 O ATOM 0 H GLY A 536 10.776 -4.417 -1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 536 8.545 -4.387 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.659 -6.135 -0.866 1.00 0.00 H new ATOM 459 N PRO A 537 8.177 -6.385 1.623 1.00 0.00 N ATOM 460 CA PRO A 537 7.730 -6.491 3.019 1.00 0.00 C ATOM 461 C PRO A 537 8.816 -6.104 4.026 1.00 0.00 C ATOM 462 O PRO A 537 8.552 -5.999 5.223 1.00 0.00 O ATOM 463 CB PRO A 537 7.368 -7.973 3.177 1.00 0.00 C ATOM 464 CG PRO A 537 7.190 -8.483 1.789 1.00 0.00 C ATOM 465 CD PRO A 537 8.131 -7.686 0.934 1.00 0.00 C ATOM 0 HA PRO A 537 6.904 -5.809 3.220 1.00 0.00 H new ATOM 0 HB2 PRO A 537 8.156 -8.517 3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 537 6.456 -8.095 3.761 1.00 0.00 H new ATOM 0 HG2 PRO A 537 7.417 -9.548 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 537 6.159 -8.359 1.456 1.00 0.00 H new ATOM 0 HD2 PRO A 537 9.116 -8.149 0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.765 -7.589 -0.088 1.00 0.00 H new ATOM 473 N ALA A 538 10.036 -5.895 3.538 1.00 0.00 N ATOM 474 CA ALA A 538 11.151 -5.520 4.400 1.00 0.00 C ATOM 475 C ALA A 538 11.135 -4.024 4.699 1.00 0.00 C ATOM 476 O ALA A 538 11.767 -3.566 5.652 1.00 0.00 O ATOM 477 CB ALA A 538 12.473 -5.920 3.759 1.00 0.00 C ATOM 0 H ALA A 538 10.277 -5.979 2.550 1.00 0.00 H new ATOM 0 HA ALA A 538 11.043 -6.053 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 538 13.296 -5.634 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 538 12.491 -6.999 3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 538 12.580 -5.414 2.799 1.00 0.00 H new ATOM 483 N ALA A 539 10.398 -3.267 3.890 1.00 0.00 N ATOM 484 CA ALA A 539 10.287 -1.829 4.078 1.00 0.00 C ATOM 485 C ALA A 539 8.994 -1.488 4.801 1.00 0.00 C ATOM 486 O ALA A 539 8.718 -0.329 5.106 1.00 0.00 O ATOM 487 CB ALA A 539 10.334 -1.127 2.737 1.00 0.00 C ATOM 0 H ALA A 539 9.869 -3.630 3.097 1.00 0.00 H new ATOM 0 HA ALA A 539 11.125 -1.490 4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.250 -0.051 2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.278 -1.352 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.507 -1.472 2.116 1.00 0.00 H new ATOM 493 N GLU A 540 8.198 -2.515 5.050 1.00 0.00 N ATOM 494 CA GLU A 540 6.921 -2.360 5.717 1.00 0.00 C ATOM 495 C GLU A 540 7.076 -1.708 7.087 1.00 0.00 C ATOM 496 O GLU A 540 7.142 -2.390 8.109 1.00 0.00 O ATOM 497 CB GLU A 540 6.260 -3.727 5.837 1.00 0.00 C ATOM 498 CG GLU A 540 5.044 -3.892 4.943 1.00 0.00 C ATOM 499 CD GLU A 540 4.159 -5.048 5.366 1.00 0.00 C ATOM 500 OE1 GLU A 540 4.655 -6.195 5.397 1.00 0.00 O ATOM 501 OE2 GLU A 540 2.971 -4.807 5.666 1.00 0.00 O ATOM 0 H GLU A 540 8.421 -3.477 4.795 1.00 0.00 H new ATOM 0 HA GLU A 540 6.291 -1.698 5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 540 6.990 -4.498 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 540 5.964 -3.889 6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 540 4.462 -2.971 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 540 5.372 -4.048 3.915 1.00 0.00 H new ATOM 508 N GLY A 541 7.125 -0.378 7.096 1.00 0.00 N ATOM 509 CA GLY A 541 7.261 0.352 8.340 1.00 0.00 C ATOM 510 C GLY A 541 8.318 1.438 8.285 1.00 0.00 C ATOM 511 O GLY A 541 8.371 2.297 9.165 1.00 0.00 O ATOM 0 H GLY A 541 7.073 0.206 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 541 6.302 0.801 8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 541 7.509 -0.347 9.138 1.00 0.00 H new ATOM 515 N ILE A 542 9.166 1.407 7.260 1.00 0.00 N ATOM 516 CA ILE A 542 10.219 2.409 7.127 1.00 0.00 C ATOM 517 C ILE A 542 9.862 3.478 6.098 1.00 0.00 C ATOM 518 O ILE A 542 10.336 4.611 6.193 1.00 0.00 O ATOM 519 CB ILE A 542 11.596 1.793 6.761 1.00 0.00 C ATOM 520 CG1 ILE A 542 11.452 0.359 6.239 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.527 1.827 7.965 1.00 0.00 C ATOM 522 CD1 ILE A 542 11.057 -0.645 7.302 1.00 0.00 C ATOM 0 H ILE A 542 9.146 0.708 6.518 1.00 0.00 H new ATOM 0 HA ILE A 542 10.301 2.869 8.112 1.00 0.00 H new ATOM 0 HB ILE A 542 12.027 2.395 5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 542 10.705 0.345 5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 542 12.397 0.049 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.489 1.392 7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 542 12.673 2.859 8.283 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.087 1.254 8.781 1.00 0.00 H new ATOM 0 HD11 ILE A 542 10.975 -1.636 6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 542 11.814 -0.662 8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 542 10.096 -0.361 7.732 1.00 0.00 H new ATOM 534 N TYR A 543 9.031 3.131 5.112 1.00 0.00 N ATOM 535 CA TYR A 543 8.646 4.104 4.088 1.00 0.00 C ATOM 536 C TYR A 543 7.694 3.509 3.041 1.00 0.00 C ATOM 537 O TYR A 543 6.480 3.490 3.236 1.00 0.00 O ATOM 538 CB TYR A 543 9.890 4.698 3.393 1.00 0.00 C ATOM 539 CG TYR A 543 11.134 3.835 3.479 1.00 0.00 C ATOM 540 CD1 TYR A 543 11.067 2.456 3.313 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.377 4.405 3.725 1.00 0.00 C ATOM 542 CE1 TYR A 543 12.202 1.672 3.391 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.517 3.628 3.802 1.00 0.00 C ATOM 544 CZ TYR A 543 13.424 2.262 3.635 1.00 0.00 C ATOM 545 OH TYR A 543 14.557 1.484 3.712 1.00 0.00 O ATOM 0 H TYR A 543 8.620 2.204 5.002 1.00 0.00 H new ATOM 0 HA TYR A 543 8.111 4.901 4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 543 9.655 4.870 2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 543 10.107 5.670 3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 543 10.112 1.990 3.120 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.453 5.474 3.858 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.132 0.602 3.261 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.476 4.088 3.992 1.00 0.00 H new ATOM 0 HH TYR A 543 15.334 2.054 3.888 1.00 0.00 H new ATOM 555 N ILE A 544 8.253 3.061 1.921 1.00 0.00 N ATOM 556 CA ILE A 544 7.467 2.510 0.825 1.00 0.00 C ATOM 557 C ILE A 544 6.816 1.180 1.180 1.00 0.00 C ATOM 558 O ILE A 544 5.611 1.019 1.032 1.00 0.00 O ATOM 559 CB ILE A 544 8.341 2.320 -0.427 1.00 0.00 C ATOM 560 CG1 ILE A 544 9.257 3.532 -0.620 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.469 2.105 -1.650 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.688 3.286 -0.186 1.00 0.00 C ATOM 0 H ILE A 544 9.258 3.070 1.749 1.00 0.00 H new ATOM 0 HA ILE A 544 6.674 3.231 0.625 1.00 0.00 H new ATOM 0 HB ILE A 544 8.964 1.436 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 544 9.249 3.819 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.855 4.374 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 544 8.101 1.972 -2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 544 6.854 1.216 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 544 6.825 2.972 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 544 11.278 4.187 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.708 3.029 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 544 11.108 2.465 -0.767 1.00 0.00 H new ATOM 574 N GLU A 545 7.619 0.230 1.634 1.00 0.00 N ATOM 575 CA GLU A 545 7.130 -1.099 2.002 1.00 0.00 C ATOM 576 C GLU A 545 6.929 -1.967 0.763 1.00 0.00 C ATOM 577 O GLU A 545 7.362 -1.614 -0.334 1.00 0.00 O ATOM 578 CB GLU A 545 5.818 -1.021 2.790 1.00 0.00 C ATOM 579 CG GLU A 545 5.736 0.147 3.764 1.00 0.00 C ATOM 580 CD GLU A 545 4.583 0.009 4.739 1.00 0.00 C ATOM 581 OE1 GLU A 545 3.420 0.162 4.309 1.00 0.00 O ATOM 582 OE2 GLU A 545 4.840 -0.253 5.932 1.00 0.00 O ATOM 0 H GLU A 545 8.624 0.353 1.759 1.00 0.00 H new ATOM 0 HA GLU A 545 7.889 -1.552 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 545 4.989 -0.949 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 545 5.686 -1.950 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 545 6.671 0.219 4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 545 5.625 1.076 3.204 1.00 0.00 H new ATOM 589 N GLY A 546 6.260 -3.101 0.947 1.00 0.00 N ATOM 590 CA GLY A 546 5.999 -4.005 -0.157 1.00 0.00 C ATOM 591 C GLY A 546 4.529 -4.055 -0.510 1.00 0.00 C ATOM 592 O GLY A 546 3.933 -5.130 -0.580 1.00 0.00 O ATOM 0 H GLY A 546 5.892 -3.411 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.571 -3.688 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 546 6.344 -5.006 0.104 1.00 0.00 H new ATOM 596 N LEU A 547 3.943 -2.885 -0.722 1.00 0.00 N ATOM 597 CA LEU A 547 2.527 -2.783 -1.059 1.00 0.00 C ATOM 598 C LEU A 547 2.289 -3.026 -2.553 1.00 0.00 C ATOM 599 O LEU A 547 1.752 -4.065 -2.938 1.00 0.00 O ATOM 600 CB LEU A 547 1.979 -1.414 -0.638 1.00 0.00 C ATOM 601 CG LEU A 547 2.876 -0.212 -0.956 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.234 0.680 -2.010 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.169 0.581 0.308 1.00 0.00 C ATOM 0 H LEU A 547 4.427 -1.989 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 547 1.992 -3.559 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.015 -1.264 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 547 1.794 -1.432 0.436 1.00 0.00 H new ATOM 0 HG LEU A 547 3.818 -0.586 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 547 2.889 1.526 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.077 0.108 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.275 1.046 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 547 3.807 1.431 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.234 0.940 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.677 -0.059 1.030 1.00 0.00 H new ATOM 615 N MET A 548 2.692 -2.066 -3.385 1.00 0.00 N ATOM 616 CA MET A 548 2.537 -2.162 -4.841 1.00 0.00 C ATOM 617 C MET A 548 1.080 -2.018 -5.286 1.00 0.00 C ATOM 618 O MET A 548 0.810 -1.653 -6.431 1.00 0.00 O ATOM 619 CB MET A 548 3.105 -3.482 -5.362 1.00 0.00 C ATOM 620 CG MET A 548 4.612 -3.594 -5.217 1.00 0.00 C ATOM 621 SD MET A 548 5.143 -5.270 -4.819 1.00 0.00 S ATOM 622 CE MET A 548 4.239 -5.544 -3.300 1.00 0.00 C ATOM 0 H MET A 548 3.134 -1.201 -3.073 1.00 0.00 H new ATOM 0 HA MET A 548 3.098 -1.330 -5.267 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.635 -4.307 -4.827 1.00 0.00 H new ATOM 0 HB3 MET A 548 2.840 -3.592 -6.414 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.088 -3.276 -6.145 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.950 -2.914 -4.436 1.00 0.00 H new ATOM 0 HE1 MET A 548 4.831 -6.170 -2.632 1.00 0.00 H new ATOM 0 HE2 MET A 548 4.039 -4.587 -2.818 1.00 0.00 H new ATOM 0 HE3 MET A 548 3.296 -6.043 -3.523 1.00 0.00 H new ATOM 632 N HIS A 549 0.144 -2.300 -4.386 1.00 0.00 N ATOM 633 CA HIS A 549 -1.277 -2.194 -4.704 1.00 0.00 C ATOM 634 C HIS A 549 -1.764 -0.763 -4.512 1.00 0.00 C ATOM 635 O HIS A 549 -2.731 -0.338 -5.142 1.00 0.00 O ATOM 636 CB HIS A 549 -2.111 -3.151 -3.838 1.00 0.00 C ATOM 637 CG HIS A 549 -1.461 -3.523 -2.540 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.956 -2.591 -1.660 1.00 0.00 N ATOM 639 CD2 HIS A 549 -1.212 -4.734 -1.987 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.420 -3.209 -0.625 1.00 0.00 C ATOM 641 NE2 HIS A 549 -0.564 -4.510 -0.796 1.00 0.00 N ATOM 0 H HIS A 549 0.342 -2.603 -3.432 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.405 -2.475 -5.749 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -3.076 -2.688 -3.630 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -2.309 -4.060 -4.407 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -1.474 -5.695 -2.404 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.056 -2.732 0.219 1.00 0.00 H new ATOM 0 HE2 HIS A 549 -0.246 -5.232 -0.149 1.00 0.00 H new ATOM 650 N ASN A 550 -1.084 -0.027 -3.633 1.00 0.00 N ATOM 651 CA ASN A 550 -1.431 1.366 -3.342 1.00 0.00 C ATOM 652 C ASN A 550 -2.699 1.473 -2.491 1.00 0.00 C ATOM 653 O ASN A 550 -2.883 2.455 -1.774 1.00 0.00 O ATOM 654 CB ASN A 550 -1.597 2.168 -4.638 1.00 0.00 C ATOM 655 CG ASN A 550 -0.335 2.174 -5.481 1.00 0.00 C ATOM 656 OD1 ASN A 550 -0.210 1.197 -6.370 1.00 0.00 O flip ATOM 657 ND2 ASN A 550 0.519 3.048 -5.332 1.00 0.00 N flip ATOM 0 H ASN A 550 -0.283 -0.375 -3.106 1.00 0.00 H new ATOM 0 HA ASN A 550 -0.607 1.788 -2.767 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.417 1.747 -5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -1.873 3.194 -4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 550 0.382 3.781 -4.636 1.00 0.00 H new ATOM 0 HD22 ASN A 550 1.363 3.039 -5.904 1.00 0.00 H new ATOM 664 N GLN A 551 -3.570 0.465 -2.565 1.00 0.00 N ATOM 665 CA GLN A 551 -4.807 0.457 -1.796 1.00 0.00 C ATOM 666 C GLN A 551 -5.829 1.421 -2.377 1.00 0.00 C ATOM 667 O GLN A 551 -5.577 2.619 -2.506 1.00 0.00 O ATOM 668 CB GLN A 551 -4.537 0.784 -0.331 1.00 0.00 C ATOM 669 CG GLN A 551 -3.403 -0.031 0.262 1.00 0.00 C ATOM 670 CD GLN A 551 -3.311 0.106 1.769 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.188 1.210 2.298 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.369 -1.022 2.469 1.00 0.00 N ATOM 0 H GLN A 551 -3.437 -0.358 -3.153 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.224 -0.548 -1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.301 1.844 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.444 0.608 0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.542 -1.081 0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.461 0.285 -0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.471 -1.916 1.988 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.311 -0.994 3.487 1.00 0.00 H new ATOM 681 N ASP A 552 -6.981 0.873 -2.730 1.00 0.00 N ATOM 682 CA ASP A 552 -8.064 1.657 -3.310 1.00 0.00 C ATOM 683 C ASP A 552 -9.424 1.007 -3.043 1.00 0.00 C ATOM 684 O ASP A 552 -10.157 0.686 -3.979 1.00 0.00 O ATOM 685 CB ASP A 552 -7.848 1.814 -4.817 1.00 0.00 C ATOM 686 CG ASP A 552 -7.048 3.056 -5.160 1.00 0.00 C ATOM 687 OD1 ASP A 552 -7.275 4.104 -4.521 1.00 0.00 O ATOM 688 OD2 ASP A 552 -6.195 2.979 -6.068 1.00 0.00 O ATOM 0 H ASP A 552 -7.192 -0.119 -2.625 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.059 2.640 -2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -7.331 0.935 -5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -8.815 1.859 -5.317 1.00 0.00 H new ATOM 693 N GLY A 553 -9.762 0.815 -1.768 1.00 0.00 N ATOM 694 CA GLY A 553 -11.035 0.206 -1.430 1.00 0.00 C ATOM 695 C GLY A 553 -11.098 -1.259 -1.813 1.00 0.00 C ATOM 696 O GLY A 553 -12.066 -1.705 -2.426 1.00 0.00 O ATOM 0 H GLY A 553 -9.180 1.069 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.209 0.306 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -11.837 0.745 -1.934 1.00 0.00 H new ATOM 700 N LEU A 554 -10.065 -2.009 -1.447 1.00 0.00 N ATOM 701 CA LEU A 554 -10.010 -3.434 -1.751 1.00 0.00 C ATOM 702 C LEU A 554 -10.195 -4.268 -0.486 1.00 0.00 C ATOM 703 O LEU A 554 -10.547 -5.445 -0.552 1.00 0.00 O ATOM 704 CB LEU A 554 -8.678 -3.784 -2.418 1.00 0.00 C ATOM 705 CG LEU A 554 -8.203 -2.790 -3.477 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.918 -3.277 -4.127 1.00 0.00 C ATOM 707 CD2 LEU A 554 -9.284 -2.575 -4.527 1.00 0.00 C ATOM 0 H LEU A 554 -9.254 -1.654 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.824 -3.665 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -7.912 -3.862 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.768 -4.768 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 554 -8.001 -1.836 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.595 -2.557 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.143 -3.382 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -7.094 -4.242 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -8.930 -1.864 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -9.516 -3.524 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -10.182 -2.182 -4.050 1.00 0.00 H new ATOM 719 N ILE A 555 -9.957 -3.647 0.666 1.00 0.00 N ATOM 720 CA ILE A 555 -10.096 -4.327 1.947 1.00 0.00 C ATOM 721 C ILE A 555 -11.305 -3.793 2.710 1.00 0.00 C ATOM 722 O ILE A 555 -12.106 -4.558 3.244 1.00 0.00 O ATOM 723 CB ILE A 555 -8.833 -4.151 2.819 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.560 -4.232 1.965 1.00 0.00 C ATOM 725 CG2 ILE A 555 -8.799 -5.203 3.915 1.00 0.00 C ATOM 726 CD1 ILE A 555 -6.645 -3.037 2.130 1.00 0.00 C ATOM 0 H ILE A 555 -9.666 -2.672 0.737 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.234 -5.387 1.736 1.00 0.00 H new ATOM 0 HB ILE A 555 -8.872 -3.163 3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -7.013 -5.137 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.841 -4.322 0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -7.904 -5.067 4.522 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -9.683 -5.101 4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -8.786 -6.196 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -5.766 -3.162 1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -7.175 -2.130 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -6.334 -2.958 3.172 1.00 0.00 H new ATOM 738 N CYS A 556 -11.427 -2.471 2.742 1.00 0.00 N ATOM 739 CA CYS A 556 -12.537 -1.811 3.424 1.00 0.00 C ATOM 740 C CYS A 556 -13.849 -2.075 2.702 1.00 0.00 C ATOM 741 O CYS A 556 -14.930 -1.911 3.268 1.00 0.00 O ATOM 742 CB CYS A 556 -12.285 -0.300 3.494 1.00 0.00 C ATOM 743 SG CYS A 556 -13.109 0.568 4.880 1.00 0.00 S ATOM 0 H CYS A 556 -10.767 -1.831 2.301 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.606 -2.216 4.433 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.211 -0.131 3.568 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -12.615 0.150 2.558 1.00 0.00 H new ATOM 748 N GLY A 557 -13.743 -2.488 1.449 1.00 0.00 N ATOM 749 CA GLY A 557 -14.911 -2.772 0.659 1.00 0.00 C ATOM 750 C GLY A 557 -14.557 -3.566 -0.573 1.00 0.00 C ATOM 751 O GLY A 557 -13.824 -3.098 -1.442 1.00 0.00 O ATOM 0 H GLY A 557 -12.857 -2.631 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -15.632 -3.328 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.392 -1.838 0.367 1.00 0.00 H new ATOM 755 N LEU A 558 -15.069 -4.774 -0.632 1.00 0.00 N ATOM 756 CA LEU A 558 -14.809 -5.669 -1.743 1.00 0.00 C ATOM 757 C LEU A 558 -15.540 -5.218 -3.007 1.00 0.00 C ATOM 758 O LEU A 558 -15.260 -5.706 -4.102 1.00 0.00 O ATOM 759 CB LEU A 558 -15.257 -7.073 -1.362 1.00 0.00 C ATOM 760 CG LEU A 558 -14.649 -7.614 -0.065 1.00 0.00 C ATOM 761 CD1 LEU A 558 -15.525 -7.254 1.128 1.00 0.00 C ATOM 762 CD2 LEU A 558 -14.458 -9.120 -0.155 1.00 0.00 C ATOM 0 H LEU A 558 -15.677 -5.166 0.087 1.00 0.00 H new ATOM 0 HA LEU A 558 -13.740 -5.658 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -16.343 -7.079 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -15.004 -7.753 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 558 -13.672 -7.152 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -15.077 -7.647 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -15.610 -6.170 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -16.516 -7.687 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -14.025 -9.488 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -15.423 -9.600 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -13.789 -9.353 -0.984 1.00 0.00 H new ATOM 774 N ARG A 559 -16.493 -4.306 -2.845 1.00 0.00 N ATOM 775 CA ARG A 559 -17.281 -3.817 -3.971 1.00 0.00 C ATOM 776 C ARG A 559 -17.093 -2.315 -4.186 1.00 0.00 C ATOM 777 O ARG A 559 -17.934 -1.662 -4.804 1.00 0.00 O ATOM 778 CB ARG A 559 -18.765 -4.124 -3.746 1.00 0.00 C ATOM 779 CG ARG A 559 -19.022 -5.288 -2.793 1.00 0.00 C ATOM 780 CD ARG A 559 -19.735 -6.435 -3.491 1.00 0.00 C ATOM 781 NE ARG A 559 -21.154 -6.154 -3.694 1.00 0.00 N ATOM 782 CZ ARG A 559 -22.041 -6.069 -2.706 1.00 0.00 C ATOM 783 NH1 ARG A 559 -21.661 -6.250 -1.447 1.00 0.00 N ATOM 784 NH2 ARG A 559 -23.312 -5.804 -2.975 1.00 0.00 N ATOM 0 H ARG A 559 -16.738 -3.891 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 559 -16.930 -4.331 -4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -19.254 -3.232 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -19.229 -4.346 -4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -18.075 -5.642 -2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -19.623 -4.944 -1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -19.261 -6.624 -4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -19.626 -7.344 -2.899 1.00 0.00 H new ATOM 0 HE ARG A 559 -21.484 -6.015 -4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -20.685 -6.455 -1.233 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -22.345 -6.184 -0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -23.611 -5.665 -3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -23.991 -5.739 -2.217 1.00 0.00 H new ATOM 798 N GLN A 560 -15.992 -1.770 -3.679 1.00 0.00 N ATOM 799 CA GLN A 560 -15.714 -0.343 -3.832 1.00 0.00 C ATOM 800 C GLN A 560 -15.253 -0.028 -5.252 1.00 0.00 C ATOM 801 O GLN A 560 -15.230 1.166 -5.615 1.00 0.00 O ATOM 802 CB GLN A 560 -14.653 0.122 -2.827 1.00 0.00 C ATOM 803 CG GLN A 560 -15.006 -0.139 -1.366 1.00 0.00 C ATOM 804 CD GLN A 560 -16.499 -0.302 -1.127 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.978 -1.537 -1.228 1.00 0.00 O flip ATOM 806 NE2 GLN A 560 -17.209 0.667 -0.857 1.00 0.00 N flip ATOM 807 OXT GLN A 560 -14.918 -0.980 -5.989 1.00 0.00 O ATOM 0 H GLN A 560 -15.282 -2.288 -3.162 1.00 0.00 H new ATOM 0 HA GLN A 560 -16.641 0.195 -3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -13.712 -0.378 -3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.487 1.191 -2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -14.491 -1.039 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.636 0.686 -0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.797 1.598 -0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -18.209 0.539 -0.701 1.00 0.00 H new TER 816 GLN A 560