USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=8 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= -7.92! C(o=-9.5!,f=-16!) USER MOD Set 1.2: A 550 ASN :FLIP amide:sc= -1.62 F(o=-10,f=-9.5) USER MOD Single : A 508 GLN : amide:sc= -3 K(o=-3,f=-6.1!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.061) USER MOD Single : A 514 ASN : amide:sc= -9.45! C(o=-9.5!,f=-16!) USER MOD Single : A 516 HIS : no HD1:sc=-0.000805 X(o=-0.00081,f=0) 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 -178:sc= -0.0684 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 -143:sc= -4.19! (180deg=-4.71!) USER MOD Single : A 549 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 551 GLN : amide:sc= -2.61 K(o=-2.6,f=-10!) USER MOD Single : A 560 GLN :FLIP amide:sc= -2.45 F(o=-5.9!,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 507 -10.104 -11.133 -0.289 1.00 0.00 N ATOM 2 CA ALA A 507 -10.946 -10.413 0.701 1.00 0.00 C ATOM 3 C ALA A 507 -10.184 -10.180 2.002 1.00 0.00 C ATOM 4 O ALA A 507 -9.155 -10.806 2.250 1.00 0.00 O ATOM 5 CB ALA A 507 -12.225 -11.192 0.972 1.00 0.00 C ATOM 0 HA ALA A 507 -11.206 -9.441 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 507 -12.832 -10.653 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 507 -12.785 -11.305 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 507 -11.975 -12.176 1.367 1.00 0.00 H new ATOM 13 N GLN A 508 -10.698 -9.274 2.828 1.00 0.00 N ATOM 14 CA GLN A 508 -10.065 -8.956 4.103 1.00 0.00 C ATOM 15 C GLN A 508 -10.902 -7.937 4.884 1.00 0.00 C ATOM 16 O GLN A 508 -11.260 -6.884 4.358 1.00 0.00 O ATOM 17 CB GLN A 508 -8.646 -8.421 3.880 1.00 0.00 C ATOM 18 CG GLN A 508 -8.466 -7.670 2.566 1.00 0.00 C ATOM 19 CD GLN A 508 -7.723 -8.485 1.525 1.00 0.00 C ATOM 20 OE1 GLN A 508 -7.083 -9.487 1.845 1.00 0.00 O ATOM 21 NE2 GLN A 508 -7.802 -8.058 0.270 1.00 0.00 N ATOM 0 H GLN A 508 -11.551 -8.747 2.637 1.00 0.00 H new ATOM 0 HA GLN A 508 -10.002 -9.872 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 508 -8.385 -7.757 4.705 1.00 0.00 H new ATOM 0 HB3 GLN A 508 -7.945 -9.256 3.909 1.00 0.00 H new ATOM 0 HG2 GLN A 508 -9.444 -7.392 2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 508 -7.922 -6.744 2.753 1.00 0.00 H new ATOM 0 HE21 GLN A 508 -8.344 -7.222 0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 508 -7.321 -8.566 -0.473 1.00 0.00 H new ATOM 30 N PRO A 509 -11.250 -8.253 6.147 1.00 0.00 N ATOM 31 CA PRO A 509 -12.067 -7.387 6.998 1.00 0.00 C ATOM 32 C PRO A 509 -11.241 -6.483 7.911 1.00 0.00 C ATOM 33 O PRO A 509 -10.766 -6.908 8.962 1.00 0.00 O ATOM 34 CB PRO A 509 -12.802 -8.417 7.831 1.00 0.00 C ATOM 35 CG PRO A 509 -11.734 -9.408 8.120 1.00 0.00 C ATOM 36 CD PRO A 509 -10.909 -9.502 6.857 1.00 0.00 C ATOM 0 HA PRO A 509 -12.688 -6.699 6.425 1.00 0.00 H new ATOM 0 HB2 PRO A 509 -13.213 -7.984 8.743 1.00 0.00 H new ATOM 0 HB3 PRO A 509 -13.634 -8.863 7.286 1.00 0.00 H new ATOM 0 HG2 PRO A 509 -11.122 -9.089 8.964 1.00 0.00 H new ATOM 0 HG3 PRO A 509 -12.160 -10.377 8.382 1.00 0.00 H new ATOM 0 HD2 PRO A 509 -9.843 -9.565 7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 509 -11.167 -10.384 6.270 1.00 0.00 H new ATOM 44 N LYS A 510 -11.092 -5.235 7.506 1.00 0.00 N ATOM 45 CA LYS A 510 -10.343 -4.253 8.285 1.00 0.00 C ATOM 46 C LYS A 510 -10.826 -2.842 7.980 1.00 0.00 C ATOM 47 O LYS A 510 -11.004 -2.021 8.879 1.00 0.00 O ATOM 48 CB LYS A 510 -8.847 -4.373 7.995 1.00 0.00 C ATOM 49 CG LYS A 510 -8.118 -5.312 8.941 1.00 0.00 C ATOM 50 CD LYS A 510 -6.717 -5.629 8.444 1.00 0.00 C ATOM 51 CE LYS A 510 -5.876 -4.371 8.313 1.00 0.00 C ATOM 52 NZ LYS A 510 -4.524 -4.661 7.759 1.00 0.00 N ATOM 0 H LYS A 510 -11.481 -4.871 6.636 1.00 0.00 H new ATOM 0 HA LYS A 510 -10.513 -4.454 9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.711 -4.723 6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.393 -3.384 8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -8.060 -4.859 9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -8.686 -6.237 9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -6.233 -6.321 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -6.777 -6.130 7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -6.388 -3.658 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -5.774 -3.899 9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -3.982 -3.777 7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -4.025 -5.321 8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -4.620 -5.088 6.815 1.00 0.00 H new ATOM 66 N CYS A 511 -11.037 -2.580 6.701 1.00 0.00 N ATOM 67 CA CYS A 511 -11.507 -1.283 6.228 1.00 0.00 C ATOM 68 C CYS A 511 -10.408 -0.236 6.316 1.00 0.00 C ATOM 69 O CYS A 511 -10.641 0.899 6.732 1.00 0.00 O ATOM 70 CB CYS A 511 -12.749 -0.831 6.998 1.00 0.00 C ATOM 71 SG CYS A 511 -14.288 -0.925 6.025 1.00 0.00 S ATOM 0 H CYS A 511 -10.887 -3.261 5.957 1.00 0.00 H new ATOM 0 HA CYS A 511 -11.783 -1.395 5.180 1.00 0.00 H new ATOM 0 HB2 CYS A 511 -12.856 -1.446 7.891 1.00 0.00 H new ATOM 0 HB3 CYS A 511 -12.604 0.196 7.334 1.00 0.00 H new ATOM 76 N ASN A 512 -9.215 -0.623 5.893 1.00 0.00 N ATOM 77 CA ASN A 512 -8.080 0.284 5.890 1.00 0.00 C ATOM 78 C ASN A 512 -7.359 0.246 4.543 1.00 0.00 C ATOM 79 O ASN A 512 -6.129 0.271 4.490 1.00 0.00 O ATOM 80 CB ASN A 512 -7.103 -0.062 7.016 1.00 0.00 C ATOM 81 CG ASN A 512 -6.364 1.160 7.531 1.00 0.00 C ATOM 82 OD1 ASN A 512 -6.331 1.417 8.736 1.00 0.00 O ATOM 83 ND2 ASN A 512 -5.765 1.922 6.620 1.00 0.00 N ATOM 0 H ASN A 512 -9.008 -1.560 5.547 1.00 0.00 H new ATOM 0 HA ASN A 512 -8.459 1.292 6.055 1.00 0.00 H new ATOM 0 HB2 ASN A 512 -7.648 -0.527 7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 512 -6.382 -0.796 6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 512 -5.253 2.756 6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 512 -5.817 1.673 5.632 1.00 0.00 H new ATOM 90 N PRO A 513 -8.112 0.184 3.428 1.00 0.00 N ATOM 91 CA PRO A 513 -7.527 0.142 2.089 1.00 0.00 C ATOM 92 C PRO A 513 -7.074 1.524 1.606 1.00 0.00 C ATOM 93 O PRO A 513 -5.968 1.960 1.928 1.00 0.00 O ATOM 94 CB PRO A 513 -8.671 -0.404 1.240 1.00 0.00 C ATOM 95 CG PRO A 513 -9.900 0.113 1.907 1.00 0.00 C ATOM 96 CD PRO A 513 -9.590 0.147 3.379 1.00 0.00 C ATOM 0 HA PRO A 513 -6.622 -0.464 2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 513 -8.602 -0.058 0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 513 -8.661 -1.494 1.212 1.00 0.00 H new ATOM 0 HG2 PRO A 513 -10.155 1.107 1.539 1.00 0.00 H new ATOM 0 HG3 PRO A 513 -10.755 -0.532 1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 513 -10.028 1.022 3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 513 -9.985 -0.730 3.891 1.00 0.00 H new ATOM 104 N ASN A 514 -7.915 2.211 0.828 1.00 0.00 N ATOM 105 CA ASN A 514 -7.563 3.527 0.315 1.00 0.00 C ATOM 106 C ASN A 514 -7.902 4.633 1.313 1.00 0.00 C ATOM 107 O ASN A 514 -7.927 5.810 0.958 1.00 0.00 O ATOM 108 CB ASN A 514 -8.265 3.785 -1.024 1.00 0.00 C ATOM 109 CG ASN A 514 -9.763 3.524 -0.984 1.00 0.00 C ATOM 110 OD1 ASN A 514 -10.293 2.783 -1.807 1.00 0.00 O ATOM 111 ND2 ASN A 514 -10.462 4.144 -0.041 1.00 0.00 N ATOM 0 H ASN A 514 -8.836 1.877 0.544 1.00 0.00 H new ATOM 0 HA ASN A 514 -6.484 3.541 0.160 1.00 0.00 H new ATOM 0 HB2 ASN A 514 -8.092 4.819 -1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 514 -7.814 3.153 -1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 514 -11.472 4.011 0.016 1.00 0.00 H new ATOM 0 HD22 ASN A 514 -9.989 4.753 0.627 1.00 0.00 H new ATOM 118 N LEU A 515 -8.157 4.257 2.562 1.00 0.00 N ATOM 119 CA LEU A 515 -8.483 5.230 3.593 1.00 0.00 C ATOM 120 C LEU A 515 -7.270 5.486 4.477 1.00 0.00 C ATOM 121 O LEU A 515 -7.387 5.644 5.693 1.00 0.00 O ATOM 122 CB LEU A 515 -9.670 4.742 4.428 1.00 0.00 C ATOM 123 CG LEU A 515 -11.001 4.641 3.670 1.00 0.00 C ATOM 124 CD1 LEU A 515 -11.190 5.837 2.746 1.00 0.00 C ATOM 125 CD2 LEU A 515 -11.071 3.338 2.882 1.00 0.00 C ATOM 0 H LEU A 515 -8.144 3.289 2.882 1.00 0.00 H new ATOM 0 HA LEU A 515 -8.764 6.169 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -9.428 3.761 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -9.802 5.417 5.274 1.00 0.00 H new ATOM 0 HG LEU A 515 -11.810 4.645 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -12.140 5.744 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -11.190 6.755 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -10.376 5.870 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -12.022 3.284 2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -10.252 3.303 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -10.990 2.494 3.567 1.00 0.00 H new ATOM 137 N HIS A 516 -6.105 5.526 3.839 1.00 0.00 N ATOM 138 CA HIS A 516 -4.840 5.761 4.525 1.00 0.00 C ATOM 139 C HIS A 516 -3.683 5.685 3.534 1.00 0.00 C ATOM 140 O HIS A 516 -2.689 6.394 3.668 1.00 0.00 O ATOM 141 CB HIS A 516 -4.632 4.738 5.644 1.00 0.00 C ATOM 142 CG HIS A 516 -3.453 5.039 6.515 1.00 0.00 C ATOM 143 ND1 HIS A 516 -2.586 4.069 6.974 1.00 0.00 N ATOM 144 CD2 HIS A 516 -2.996 6.213 7.011 1.00 0.00 C ATOM 145 CE1 HIS A 516 -1.649 4.633 7.715 1.00 0.00 C ATOM 146 NE2 HIS A 516 -1.875 5.933 7.752 1.00 0.00 N ATOM 0 H HIS A 516 -6.011 5.396 2.832 1.00 0.00 H new ATOM 0 HA HIS A 516 -4.870 6.757 4.966 1.00 0.00 H new ATOM 0 HB2 HIS A 516 -5.529 4.699 6.261 1.00 0.00 H new ATOM 0 HB3 HIS A 516 -4.505 3.749 5.203 1.00 0.00 H new ATOM 0 HD2 HIS A 516 -3.432 7.188 6.853 1.00 0.00 H new ATOM 0 HE1 HIS A 516 -0.837 4.118 8.207 1.00 0.00 H new ATOM 0 HE2 HIS A 516 -1.308 6.619 8.251 1.00 0.00 H new ATOM 155 N TYR A 517 -3.833 4.811 2.538 1.00 0.00 N ATOM 156 CA TYR A 517 -2.820 4.611 1.499 1.00 0.00 C ATOM 157 C TYR A 517 -2.117 5.921 1.122 1.00 0.00 C ATOM 158 O TYR A 517 -0.897 5.959 0.967 1.00 0.00 O ATOM 159 CB TYR A 517 -3.471 3.971 0.265 1.00 0.00 C ATOM 160 CG TYR A 517 -4.252 4.937 -0.605 1.00 0.00 C ATOM 161 CD1 TYR A 517 -5.342 5.635 -0.101 1.00 0.00 C ATOM 162 CD2 TYR A 517 -3.897 5.148 -1.932 1.00 0.00 C ATOM 163 CE1 TYR A 517 -6.057 6.514 -0.893 1.00 0.00 C ATOM 164 CE2 TYR A 517 -4.607 6.025 -2.730 1.00 0.00 C ATOM 165 CZ TYR A 517 -5.685 6.705 -2.206 1.00 0.00 C ATOM 166 OH TYR A 517 -6.394 7.579 -2.998 1.00 0.00 O ATOM 0 H TYR A 517 -4.659 4.222 2.428 1.00 0.00 H new ATOM 0 HA TYR A 517 -2.055 3.943 1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 517 -2.693 3.504 -0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 517 -4.140 3.176 0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 517 -5.636 5.488 0.928 1.00 0.00 H new ATOM 0 HD2 TYR A 517 -3.052 4.618 -2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 517 -6.902 7.048 -0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 517 -4.318 6.177 -3.760 1.00 0.00 H new ATOM 0 HH TYR A 517 -6.002 7.599 -3.896 1.00 0.00 H new ATOM 176 N TRP A 518 -2.896 6.988 0.987 1.00 0.00 N ATOM 177 CA TRP A 518 -2.362 8.304 0.645 1.00 0.00 C ATOM 178 C TRP A 518 -1.473 8.828 1.765 1.00 0.00 C ATOM 179 O TRP A 518 -1.886 9.676 2.556 1.00 0.00 O ATOM 180 CB TRP A 518 -3.515 9.281 0.407 1.00 0.00 C ATOM 181 CG TRP A 518 -4.591 9.163 1.445 1.00 0.00 C ATOM 182 CD1 TRP A 518 -4.445 8.698 2.720 1.00 0.00 C ATOM 183 CD2 TRP A 518 -5.974 9.498 1.296 1.00 0.00 C ATOM 184 NE1 TRP A 518 -5.650 8.723 3.374 1.00 0.00 N ATOM 185 CE2 TRP A 518 -6.606 9.214 2.522 1.00 0.00 C ATOM 186 CE3 TRP A 518 -6.738 10.012 0.247 1.00 0.00 C ATOM 187 CZ2 TRP A 518 -7.967 9.427 2.725 1.00 0.00 C ATOM 188 CZ3 TRP A 518 -8.089 10.224 0.449 1.00 0.00 C ATOM 189 CH2 TRP A 518 -8.691 9.933 1.679 1.00 0.00 C ATOM 0 H TRP A 518 -3.908 6.968 1.110 1.00 0.00 H new ATOM 0 HA TRP A 518 -1.765 8.213 -0.262 1.00 0.00 H new ATOM 0 HB2 TRP A 518 -3.128 10.300 0.403 1.00 0.00 H new ATOM 0 HB3 TRP A 518 -3.944 9.099 -0.578 1.00 0.00 H new ATOM 0 HD1 TRP A 518 -3.515 8.359 3.151 1.00 0.00 H new ATOM 0 HE1 TRP A 518 -5.809 8.425 4.336 1.00 0.00 H new ATOM 0 HE3 TRP A 518 -6.282 10.240 -0.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 518 -8.434 9.201 3.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 518 -8.690 10.621 -0.356 1.00 0.00 H new ATOM 0 HH2 TRP A 518 -9.749 10.111 1.805 1.00 0.00 H new ATOM 200 N THR A 519 -0.257 8.309 1.839 1.00 0.00 N ATOM 201 CA THR A 519 0.678 8.714 2.878 1.00 0.00 C ATOM 202 C THR A 519 2.099 8.334 2.501 1.00 0.00 C ATOM 203 O THR A 519 2.991 9.181 2.440 1.00 0.00 O ATOM 204 CB THR A 519 0.293 8.045 4.193 1.00 0.00 C ATOM 205 OG1 THR A 519 1.314 8.202 5.161 1.00 0.00 O ATOM 206 CG2 THR A 519 0.011 6.565 4.050 1.00 0.00 C ATOM 0 H THR A 519 0.105 7.608 1.193 1.00 0.00 H new ATOM 0 HA THR A 519 0.632 9.797 2.990 1.00 0.00 H new ATOM 0 HB THR A 519 -0.623 8.543 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 519 1.043 7.766 5.996 1.00 0.00 H new ATOM 0 HG21 THR A 519 -0.257 6.150 5.022 1.00 0.00 H new ATOM 0 HG22 THR A 519 -0.814 6.417 3.353 1.00 0.00 H new ATOM 0 HG23 THR A 519 0.900 6.060 3.673 1.00 0.00 H new ATOM 214 N THR A 520 2.291 7.055 2.231 1.00 0.00 N ATOM 215 CA THR A 520 3.588 6.538 1.836 1.00 0.00 C ATOM 216 C THR A 520 3.469 5.824 0.494 1.00 0.00 C ATOM 217 O THR A 520 4.462 5.356 -0.061 1.00 0.00 O ATOM 218 CB THR A 520 4.145 5.595 2.908 1.00 0.00 C ATOM 219 OG1 THR A 520 5.551 5.485 2.790 1.00 0.00 O ATOM 220 CG2 THR A 520 3.568 4.194 2.856 1.00 0.00 C ATOM 0 H THR A 520 1.556 6.349 2.279 1.00 0.00 H new ATOM 0 HA THR A 520 4.284 7.370 1.731 1.00 0.00 H new ATOM 0 HB THR A 520 3.855 6.044 3.858 1.00 0.00 H new ATOM 0 HG1 THR A 520 5.887 4.852 3.459 1.00 0.00 H new ATOM 0 HG21 THR A 520 4.012 3.588 3.646 1.00 0.00 H new ATOM 0 HG22 THR A 520 2.488 4.240 2.997 1.00 0.00 H new ATOM 0 HG23 THR A 520 3.788 3.746 1.887 1.00 0.00 H new ATOM 228 N GLN A 521 2.243 5.754 -0.027 1.00 0.00 N ATOM 229 CA GLN A 521 1.997 5.112 -1.304 1.00 0.00 C ATOM 230 C GLN A 521 1.878 6.162 -2.414 1.00 0.00 C ATOM 231 O GLN A 521 2.158 5.895 -3.582 1.00 0.00 O ATOM 232 CB GLN A 521 0.744 4.227 -1.231 1.00 0.00 C ATOM 233 CG GLN A 521 -0.543 4.940 -1.594 1.00 0.00 C ATOM 234 CD GLN A 521 -0.764 5.013 -3.089 1.00 0.00 C ATOM 235 OE1 GLN A 521 -0.844 3.992 -3.769 1.00 0.00 O ATOM 236 NE2 GLN A 521 -0.861 6.228 -3.605 1.00 0.00 N ATOM 0 H GLN A 521 1.410 6.136 0.421 1.00 0.00 H new ATOM 0 HA GLN A 521 2.843 4.467 -1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 521 0.875 3.375 -1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 521 0.653 3.829 -0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 521 -1.384 4.424 -1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 521 -0.523 5.949 -1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 521 -0.788 7.046 -3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 521 -1.009 6.346 -4.607 1.00 0.00 H new ATOM 245 N ASP A 522 1.483 7.366 -2.023 1.00 0.00 N ATOM 246 CA ASP A 522 1.348 8.483 -2.958 1.00 0.00 C ATOM 247 C ASP A 522 2.498 9.467 -2.769 1.00 0.00 C ATOM 248 O ASP A 522 2.587 10.488 -3.452 1.00 0.00 O ATOM 249 CB ASP A 522 0.010 9.198 -2.755 1.00 0.00 C ATOM 250 CG ASP A 522 -0.809 9.267 -4.028 1.00 0.00 C ATOM 251 OD1 ASP A 522 -0.576 8.437 -4.932 1.00 0.00 O ATOM 252 OD2 ASP A 522 -1.686 10.152 -4.122 1.00 0.00 O ATOM 0 H ASP A 522 1.248 7.599 -1.058 1.00 0.00 H new ATOM 0 HA ASP A 522 1.380 8.088 -3.973 1.00 0.00 H new ATOM 0 HB2 ASP A 522 -0.563 8.680 -1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 522 0.193 10.208 -2.389 1.00 0.00 H new ATOM 257 N GLU A 523 3.368 9.134 -1.833 1.00 0.00 N ATOM 258 CA GLU A 523 4.531 9.946 -1.507 1.00 0.00 C ATOM 259 C GLU A 523 5.756 9.052 -1.375 1.00 0.00 C ATOM 260 O GLU A 523 6.893 9.499 -1.519 1.00 0.00 O ATOM 261 CB GLU A 523 4.289 10.713 -0.208 1.00 0.00 C ATOM 262 CG GLU A 523 2.816 10.965 0.062 1.00 0.00 C ATOM 263 CD GLU A 523 2.580 12.171 0.951 1.00 0.00 C ATOM 264 OE1 GLU A 523 2.861 12.078 2.164 1.00 0.00 O ATOM 265 OE2 GLU A 523 2.115 13.208 0.433 1.00 0.00 O ATOM 0 H GLU A 523 3.289 8.286 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 523 4.702 10.667 -2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 523 4.715 10.153 0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 523 4.814 11.667 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 523 2.297 11.111 -0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 523 2.381 10.083 0.531 1.00 0.00 H new ATOM 272 N GLY A 524 5.501 7.774 -1.118 1.00 0.00 N ATOM 273 CA GLY A 524 6.560 6.806 -0.993 1.00 0.00 C ATOM 274 C GLY A 524 6.461 5.750 -2.073 1.00 0.00 C ATOM 275 O GLY A 524 7.473 5.223 -2.529 1.00 0.00 O ATOM 0 H GLY A 524 4.563 7.393 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 524 7.525 7.308 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 524 6.511 6.333 -0.012 1.00 0.00 H new ATOM 279 N ALA A 525 5.233 5.454 -2.503 1.00 0.00 N ATOM 280 CA ALA A 525 5.017 4.466 -3.553 1.00 0.00 C ATOM 281 C ALA A 525 4.778 5.145 -4.893 1.00 0.00 C ATOM 282 O ALA A 525 4.212 4.560 -5.816 1.00 0.00 O ATOM 283 CB ALA A 525 3.857 3.549 -3.198 1.00 0.00 C ATOM 0 H ALA A 525 4.381 5.883 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 525 5.918 3.858 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 525 3.713 2.819 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 525 4.076 3.029 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 525 2.949 4.140 -3.079 1.00 0.00 H new ATOM 289 N ALA A 526 5.223 6.388 -4.980 1.00 0.00 N ATOM 290 CA ALA A 526 5.080 7.186 -6.193 1.00 0.00 C ATOM 291 C ALA A 526 6.351 7.975 -6.497 1.00 0.00 C ATOM 292 O ALA A 526 6.428 8.684 -7.501 1.00 0.00 O ATOM 293 CB ALA A 526 3.906 8.136 -6.052 1.00 0.00 C ATOM 0 H ALA A 526 5.693 6.874 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 526 4.901 6.503 -7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 526 3.806 8.728 -6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 526 2.993 7.564 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 526 4.075 8.800 -5.204 1.00 0.00 H new ATOM 299 N ILE A 527 7.338 7.861 -5.617 1.00 0.00 N ATOM 300 CA ILE A 527 8.595 8.571 -5.771 1.00 0.00 C ATOM 301 C ILE A 527 9.745 7.773 -5.158 1.00 0.00 C ATOM 302 O ILE A 527 10.847 7.733 -5.704 1.00 0.00 O ATOM 303 CB ILE A 527 8.534 9.964 -5.106 1.00 0.00 C ATOM 304 CG1 ILE A 527 7.387 10.029 -4.078 1.00 0.00 C ATOM 305 CG2 ILE A 527 8.390 11.053 -6.162 1.00 0.00 C ATOM 306 CD1 ILE A 527 6.075 10.553 -4.629 1.00 0.00 C ATOM 0 H ILE A 527 7.288 7.277 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 527 8.769 8.696 -6.840 1.00 0.00 H new ATOM 0 HB ILE A 527 9.469 10.134 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 527 7.223 9.031 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 527 7.696 10.663 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 527 8.349 12.028 -5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 527 9.245 11.020 -6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 527 7.473 10.891 -6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 527 5.326 10.564 -3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 527 6.218 11.565 -5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 527 5.737 9.907 -5.439 1.00 0.00 H new ATOM 318 N GLY A 528 9.477 7.143 -4.016 1.00 0.00 N ATOM 319 CA GLY A 528 10.495 6.358 -3.341 1.00 0.00 C ATOM 320 C GLY A 528 10.846 5.086 -4.083 1.00 0.00 C ATOM 321 O GLY A 528 11.119 5.117 -5.283 1.00 0.00 O ATOM 0 H GLY A 528 8.572 7.163 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 528 11.394 6.963 -3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 528 10.147 6.104 -2.340 1.00 0.00 H new ATOM 325 N LEU A 529 10.859 3.965 -3.367 1.00 0.00 N ATOM 326 CA LEU A 529 11.204 2.686 -3.976 1.00 0.00 C ATOM 327 C LEU A 529 10.124 1.624 -3.750 1.00 0.00 C ATOM 328 O LEU A 529 10.273 0.738 -2.908 1.00 0.00 O ATOM 329 CB LEU A 529 12.547 2.200 -3.427 1.00 0.00 C ATOM 330 CG LEU A 529 13.759 2.520 -4.303 1.00 0.00 C ATOM 331 CD1 LEU A 529 13.863 4.018 -4.543 1.00 0.00 C ATOM 332 CD2 LEU A 529 15.032 1.990 -3.662 1.00 0.00 C ATOM 0 H LEU A 529 10.636 3.917 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 529 11.279 2.842 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 529 12.702 2.643 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 529 12.495 1.120 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 529 13.629 2.028 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 529 14.731 4.227 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 529 12.961 4.370 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 529 13.971 4.533 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 529 15.885 2.226 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 529 15.168 2.454 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 529 14.956 0.909 -3.543 1.00 0.00 H new ATOM 344 N ALA A 530 9.052 1.708 -4.533 1.00 0.00 N ATOM 345 CA ALA A 530 7.947 0.748 -4.460 1.00 0.00 C ATOM 346 C ALA A 530 7.970 -0.160 -5.686 1.00 0.00 C ATOM 347 O ALA A 530 7.601 -1.333 -5.630 1.00 0.00 O ATOM 348 CB ALA A 530 6.617 1.480 -4.384 1.00 0.00 C ATOM 0 H ALA A 530 8.922 2.438 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 530 8.065 0.142 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 530 5.805 0.755 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 530 6.599 2.111 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 530 6.492 2.100 -5.272 1.00 0.00 H new ATOM 354 N TRP A 531 8.416 0.422 -6.787 1.00 0.00 N ATOM 355 CA TRP A 531 8.527 -0.261 -8.074 1.00 0.00 C ATOM 356 C TRP A 531 9.670 -1.271 -8.059 1.00 0.00 C ATOM 357 O TRP A 531 9.782 -2.115 -8.946 1.00 0.00 O ATOM 358 CB TRP A 531 8.795 0.784 -9.162 1.00 0.00 C ATOM 359 CG TRP A 531 9.493 1.991 -8.617 1.00 0.00 C ATOM 360 CD1 TRP A 531 10.749 2.038 -8.088 1.00 0.00 C ATOM 361 CD2 TRP A 531 8.953 3.311 -8.497 1.00 0.00 C ATOM 362 NE1 TRP A 531 11.027 3.306 -7.647 1.00 0.00 N ATOM 363 CE2 TRP A 531 9.942 4.111 -7.895 1.00 0.00 C ATOM 364 CE3 TRP A 531 7.732 3.894 -8.847 1.00 0.00 C ATOM 365 CZ2 TRP A 531 9.743 5.467 -7.633 1.00 0.00 C ATOM 366 CZ3 TRP A 531 7.536 5.236 -8.587 1.00 0.00 C ATOM 367 CH2 TRP A 531 8.535 6.011 -7.988 1.00 0.00 C ATOM 0 H TRP A 531 8.717 1.396 -6.817 1.00 0.00 H new ATOM 0 HA TRP A 531 7.598 -0.795 -8.272 1.00 0.00 H new ATOM 0 HB2 TRP A 531 9.402 0.339 -9.951 1.00 0.00 H new ATOM 0 HB3 TRP A 531 7.851 1.085 -9.617 1.00 0.00 H new ATOM 0 HD1 TRP A 531 11.426 1.199 -8.026 1.00 0.00 H new ATOM 0 HE1 TRP A 531 11.898 3.603 -7.207 1.00 0.00 H new ATOM 0 HE3 TRP A 531 6.955 3.305 -9.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 10.512 6.066 -7.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 6.595 5.695 -8.851 1.00 0.00 H new ATOM 0 HH2 TRP A 531 8.351 7.059 -7.801 1.00 0.00 H new ATOM 378 N ILE A 532 10.530 -1.153 -7.054 1.00 0.00 N ATOM 379 CA ILE A 532 11.686 -2.021 -6.916 1.00 0.00 C ATOM 380 C ILE A 532 11.404 -3.200 -5.979 1.00 0.00 C ATOM 381 O ILE A 532 11.418 -3.051 -4.757 1.00 0.00 O ATOM 382 CB ILE A 532 12.869 -1.200 -6.380 1.00 0.00 C ATOM 383 CG1 ILE A 532 14.128 -2.050 -6.250 1.00 0.00 C ATOM 384 CG2 ILE A 532 12.511 -0.560 -5.050 1.00 0.00 C ATOM 385 CD1 ILE A 532 15.387 -1.242 -6.457 1.00 0.00 C ATOM 0 H ILE A 532 10.443 -0.454 -6.316 1.00 0.00 H new ATOM 0 HA ILE A 532 11.924 -2.432 -7.897 1.00 0.00 H new ATOM 0 HB ILE A 532 13.081 -0.410 -7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 532 14.153 -2.511 -5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 532 14.094 -2.860 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 532 13.360 0.018 -4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 532 11.653 0.099 -5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 532 12.263 -1.337 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 532 16.257 -1.891 -6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 532 15.377 -0.803 -7.454 1.00 0.00 H new ATOM 0 HD13 ILE A 532 15.437 -0.448 -5.711 1.00 0.00 H new ATOM 397 N PRO A 533 11.145 -4.396 -6.541 1.00 0.00 N ATOM 398 CA PRO A 533 10.862 -5.596 -5.744 1.00 0.00 C ATOM 399 C PRO A 533 12.117 -6.166 -5.091 1.00 0.00 C ATOM 400 O PRO A 533 12.539 -7.281 -5.400 1.00 0.00 O ATOM 401 CB PRO A 533 10.304 -6.574 -6.777 1.00 0.00 C ATOM 402 CG PRO A 533 10.948 -6.171 -8.057 1.00 0.00 C ATOM 403 CD PRO A 533 11.107 -4.676 -7.990 1.00 0.00 C ATOM 0 HA PRO A 533 10.182 -5.391 -4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 533 10.545 -7.605 -6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 533 9.218 -6.507 -6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 533 11.914 -6.661 -8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 533 10.334 -6.460 -8.910 1.00 0.00 H new ATOM 0 HD2 PRO A 533 12.020 -4.347 -8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 533 10.278 -4.162 -8.476 1.00 0.00 H new ATOM 411 N TYR A 534 12.714 -5.392 -4.190 1.00 0.00 N ATOM 412 CA TYR A 534 13.922 -5.817 -3.499 1.00 0.00 C ATOM 413 C TYR A 534 13.599 -6.360 -2.109 1.00 0.00 C ATOM 414 O TYR A 534 14.134 -7.389 -1.696 1.00 0.00 O ATOM 415 CB TYR A 534 14.901 -4.648 -3.390 1.00 0.00 C ATOM 416 CG TYR A 534 16.224 -5.020 -2.760 1.00 0.00 C ATOM 417 CD1 TYR A 534 16.796 -6.265 -2.983 1.00 0.00 C ATOM 418 CD2 TYR A 534 16.900 -4.123 -1.945 1.00 0.00 C ATOM 419 CE1 TYR A 534 18.005 -6.608 -2.410 1.00 0.00 C ATOM 420 CE2 TYR A 534 18.111 -4.457 -1.368 1.00 0.00 C ATOM 421 CZ TYR A 534 18.659 -5.700 -1.602 1.00 0.00 C ATOM 422 OH TYR A 534 19.864 -6.037 -1.030 1.00 0.00 O ATOM 0 H TYR A 534 12.379 -4.467 -3.923 1.00 0.00 H new ATOM 0 HA TYR A 534 14.381 -6.618 -4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 534 15.084 -4.244 -4.386 1.00 0.00 H new ATOM 0 HB3 TYR A 534 14.440 -3.853 -2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 534 16.287 -6.977 -3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 534 16.473 -3.149 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 534 18.436 -7.581 -2.593 1.00 0.00 H new ATOM 0 HE2 TYR A 534 18.625 -3.747 -0.737 1.00 0.00 H new ATOM 0 HH TYR A 534 20.192 -5.287 -0.492 1.00 0.00 H new ATOM 432 N PHE A 535 12.724 -5.662 -1.393 1.00 0.00 N ATOM 433 CA PHE A 535 12.334 -6.075 -0.047 1.00 0.00 C ATOM 434 C PHE A 535 10.833 -6.343 0.028 1.00 0.00 C ATOM 435 O PHE A 535 10.395 -7.298 0.670 1.00 0.00 O ATOM 436 CB PHE A 535 12.729 -5.008 0.984 1.00 0.00 C ATOM 437 CG PHE A 535 13.156 -3.699 0.380 1.00 0.00 C ATOM 438 CD1 PHE A 535 12.228 -2.858 -0.214 1.00 0.00 C ATOM 439 CD2 PHE A 535 14.486 -3.311 0.405 1.00 0.00 C ATOM 440 CE1 PHE A 535 12.618 -1.655 -0.771 1.00 0.00 C ATOM 441 CE2 PHE A 535 14.882 -2.108 -0.151 1.00 0.00 C ATOM 442 CZ PHE A 535 13.947 -1.279 -0.740 1.00 0.00 C ATOM 0 H PHE A 535 12.271 -4.809 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 535 12.863 -6.999 0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 535 11.884 -4.830 1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 535 13.542 -5.395 1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 535 11.188 -3.146 -0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 535 15.222 -3.955 0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 535 11.884 -1.009 -1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 535 15.922 -1.817 -0.125 1.00 0.00 H new ATOM 0 HZ PHE A 535 14.254 -0.339 -1.175 1.00 0.00 H new ATOM 452 N GLY A 536 10.051 -5.496 -0.632 1.00 0.00 N ATOM 453 CA GLY A 536 8.606 -5.656 -0.633 1.00 0.00 C ATOM 454 C GLY A 536 8.031 -5.857 0.762 1.00 0.00 C ATOM 455 O GLY A 536 7.934 -4.903 1.534 1.00 0.00 O ATOM 0 H GLY A 536 10.392 -4.698 -1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 536 8.148 -4.776 -1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 536 8.341 -6.510 -1.256 1.00 0.00 H new ATOM 459 N PRO A 537 7.633 -7.095 1.118 1.00 0.00 N ATOM 460 CA PRO A 537 7.061 -7.398 2.437 1.00 0.00 C ATOM 461 C PRO A 537 8.083 -7.293 3.570 1.00 0.00 C ATOM 462 O PRO A 537 7.737 -7.446 4.740 1.00 0.00 O ATOM 463 CB PRO A 537 6.569 -8.848 2.305 1.00 0.00 C ATOM 464 CG PRO A 537 6.619 -9.161 0.847 1.00 0.00 C ATOM 465 CD PRO A 537 7.700 -8.295 0.272 1.00 0.00 C ATOM 0 HA PRO A 537 6.277 -6.687 2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 537 7.202 -9.529 2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 537 5.556 -8.955 2.694 1.00 0.00 H new ATOM 0 HG2 PRO A 537 6.836 -10.216 0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 537 5.660 -8.955 0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 537 8.677 -8.776 0.327 1.00 0.00 H new ATOM 0 HD3 PRO A 537 7.518 -8.062 -0.777 1.00 0.00 H new ATOM 473 N ALA A 538 9.340 -7.035 3.221 1.00 0.00 N ATOM 474 CA ALA A 538 10.399 -6.916 4.217 1.00 0.00 C ATOM 475 C ALA A 538 10.566 -5.468 4.665 1.00 0.00 C ATOM 476 O ALA A 538 10.857 -5.196 5.829 1.00 0.00 O ATOM 477 CB ALA A 538 11.709 -7.453 3.661 1.00 0.00 C ATOM 0 H ALA A 538 9.649 -6.905 2.258 1.00 0.00 H new ATOM 0 HA ALA A 538 10.117 -7.509 5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 538 12.490 -7.358 4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 538 11.588 -8.503 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 538 11.989 -6.884 2.775 1.00 0.00 H new ATOM 483 N ALA A 539 10.375 -4.545 3.730 1.00 0.00 N ATOM 484 CA ALA A 539 10.497 -3.122 4.020 1.00 0.00 C ATOM 485 C ALA A 539 9.262 -2.598 4.748 1.00 0.00 C ATOM 486 O ALA A 539 9.280 -1.511 5.324 1.00 0.00 O ATOM 487 CB ALA A 539 10.704 -2.343 2.734 1.00 0.00 C ATOM 0 H ALA A 539 10.134 -4.758 2.762 1.00 0.00 H new ATOM 0 HA ALA A 539 11.361 -2.985 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 539 10.794 -1.281 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 539 11.614 -2.687 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 539 9.853 -2.501 2.072 1.00 0.00 H new ATOM 493 N GLU A 540 8.188 -3.377 4.695 1.00 0.00 N ATOM 494 CA GLU A 540 6.924 -3.014 5.322 1.00 0.00 C ATOM 495 C GLU A 540 7.111 -2.381 6.706 1.00 0.00 C ATOM 496 O GLU A 540 7.387 -3.070 7.688 1.00 0.00 O ATOM 497 CB GLU A 540 6.027 -4.253 5.404 1.00 0.00 C ATOM 498 CG GLU A 540 6.424 -5.244 6.488 1.00 0.00 C ATOM 499 CD GLU A 540 5.723 -6.581 6.339 1.00 0.00 C ATOM 500 OE1 GLU A 540 5.256 -6.884 5.221 1.00 0.00 O ATOM 501 OE2 GLU A 540 5.642 -7.324 7.340 1.00 0.00 O ATOM 0 H GLU A 540 8.169 -4.277 4.216 1.00 0.00 H new ATOM 0 HA GLU A 540 6.448 -2.254 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 540 5.000 -3.932 5.580 1.00 0.00 H new ATOM 0 HB3 GLU A 540 6.042 -4.762 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 540 7.503 -5.398 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 540 6.190 -4.822 7.465 1.00 0.00 H new ATOM 508 N GLY A 541 6.936 -1.061 6.775 1.00 0.00 N ATOM 509 CA GLY A 541 7.062 -0.359 8.040 1.00 0.00 C ATOM 510 C GLY A 541 8.153 0.694 8.064 1.00 0.00 C ATOM 511 O GLY A 541 8.286 1.424 9.046 1.00 0.00 O ATOM 0 H GLY A 541 6.709 -0.468 5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 541 6.110 0.116 8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 541 7.258 -1.086 8.828 1.00 0.00 H new ATOM 515 N ILE A 542 8.940 0.784 6.999 1.00 0.00 N ATOM 516 CA ILE A 542 10.015 1.767 6.947 1.00 0.00 C ATOM 517 C ILE A 542 9.635 2.976 6.099 1.00 0.00 C ATOM 518 O ILE A 542 10.063 4.096 6.382 1.00 0.00 O ATOM 519 CB ILE A 542 11.315 1.156 6.397 1.00 0.00 C ATOM 520 CG1 ILE A 542 11.662 -0.124 7.158 1.00 0.00 C ATOM 521 CG2 ILE A 542 12.454 2.161 6.490 1.00 0.00 C ATOM 522 CD1 ILE A 542 11.855 -1.318 6.256 1.00 0.00 C ATOM 0 H ILE A 542 8.856 0.196 6.169 1.00 0.00 H new ATOM 0 HA ILE A 542 10.181 2.093 7.974 1.00 0.00 H new ATOM 0 HB ILE A 542 11.166 0.903 5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 542 12.573 0.039 7.734 1.00 0.00 H new ATOM 0 HG13 ILE A 542 10.868 -0.341 7.872 1.00 0.00 H new ATOM 0 HG21 ILE A 542 13.367 1.714 6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 542 12.205 3.048 5.908 1.00 0.00 H new ATOM 0 HG23 ILE A 542 12.607 2.442 7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 542 12.099 -2.193 6.858 1.00 0.00 H new ATOM 0 HD12 ILE A 542 10.937 -1.505 5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 542 12.669 -1.119 5.558 1.00 0.00 H new ATOM 534 N TYR A 543 8.834 2.754 5.059 1.00 0.00 N ATOM 535 CA TYR A 543 8.417 3.849 4.182 1.00 0.00 C ATOM 536 C TYR A 543 7.561 3.352 3.015 1.00 0.00 C ATOM 537 O TYR A 543 6.345 3.210 3.142 1.00 0.00 O ATOM 538 CB TYR A 543 9.638 4.627 3.643 1.00 0.00 C ATOM 539 CG TYR A 543 10.935 3.840 3.621 1.00 0.00 C ATOM 540 CD1 TYR A 543 10.954 2.491 3.281 1.00 0.00 C ATOM 541 CD2 TYR A 543 12.141 4.452 3.935 1.00 0.00 C ATOM 542 CE1 TYR A 543 12.138 1.779 3.256 1.00 0.00 C ATOM 543 CE2 TYR A 543 13.329 3.745 3.913 1.00 0.00 C ATOM 544 CZ TYR A 543 13.322 2.410 3.573 1.00 0.00 C ATOM 545 OH TYR A 543 14.502 1.703 3.548 1.00 0.00 O ATOM 0 H TYR A 543 8.464 1.838 4.804 1.00 0.00 H new ATOM 0 HA TYR A 543 7.808 4.521 4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 543 9.417 4.965 2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 543 9.781 5.519 4.253 1.00 0.00 H new ATOM 0 HD1 TYR A 543 10.029 1.992 3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 543 12.151 5.499 4.201 1.00 0.00 H new ATOM 0 HE1 TYR A 543 12.136 0.732 2.989 1.00 0.00 H new ATOM 0 HE2 TYR A 543 14.258 4.237 4.161 1.00 0.00 H new ATOM 0 HH TYR A 543 15.243 2.295 3.795 1.00 0.00 H new ATOM 555 N ILE A 544 8.202 3.116 1.875 1.00 0.00 N ATOM 556 CA ILE A 544 7.517 2.668 0.673 1.00 0.00 C ATOM 557 C ILE A 544 7.045 1.227 0.788 1.00 0.00 C ATOM 558 O ILE A 544 5.853 0.947 0.680 1.00 0.00 O ATOM 559 CB ILE A 544 8.444 2.804 -0.544 1.00 0.00 C ATOM 560 CG1 ILE A 544 9.144 4.166 -0.508 1.00 0.00 C ATOM 561 CG2 ILE A 544 7.662 2.625 -1.834 1.00 0.00 C ATOM 562 CD1 ILE A 544 10.572 4.098 -0.008 1.00 0.00 C ATOM 0 H ILE A 544 9.209 3.230 1.761 1.00 0.00 H new ATOM 0 HA ILE A 544 6.639 3.301 0.547 1.00 0.00 H new ATOM 0 HB ILE A 544 9.202 2.022 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 544 9.138 4.595 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 544 8.575 4.841 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 544 8.336 2.725 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 544 7.204 1.636 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 544 6.884 3.386 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 544 11.006 5.098 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 544 10.584 3.698 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 544 11.155 3.449 -0.661 1.00 0.00 H new ATOM 574 N GLU A 545 7.982 0.315 1.003 1.00 0.00 N ATOM 575 CA GLU A 545 7.656 -1.100 1.132 1.00 0.00 C ATOM 576 C GLU A 545 6.932 -1.596 -0.113 1.00 0.00 C ATOM 577 O GLU A 545 6.513 -0.800 -0.955 1.00 0.00 O ATOM 578 CB GLU A 545 6.777 -1.342 2.367 1.00 0.00 C ATOM 579 CG GLU A 545 6.918 -0.287 3.459 1.00 0.00 C ATOM 580 CD GLU A 545 5.576 0.182 3.988 1.00 0.00 C ATOM 581 OE1 GLU A 545 5.069 -0.433 4.950 1.00 0.00 O ATOM 582 OE2 GLU A 545 5.031 1.163 3.440 1.00 0.00 O ATOM 0 H GLU A 545 8.975 0.529 1.092 1.00 0.00 H new ATOM 0 HA GLU A 545 8.589 -1.652 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 545 5.734 -1.384 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 545 7.023 -2.317 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 545 7.507 -0.695 4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 545 7.469 0.567 3.066 1.00 0.00 H new ATOM 589 N GLY A 546 6.767 -2.910 -0.223 1.00 0.00 N ATOM 590 CA GLY A 546 6.072 -3.468 -1.368 1.00 0.00 C ATOM 591 C GLY A 546 4.726 -2.805 -1.571 1.00 0.00 C ATOM 592 O GLY A 546 4.612 -1.841 -2.329 1.00 0.00 O ATOM 0 H GLY A 546 7.100 -3.595 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 546 6.681 -3.341 -2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 546 5.934 -4.540 -1.226 1.00 0.00 H new ATOM 596 N LEU A 547 3.711 -3.307 -0.869 1.00 0.00 N ATOM 597 CA LEU A 547 2.358 -2.752 -0.939 1.00 0.00 C ATOM 598 C LEU A 547 2.010 -2.262 -2.341 1.00 0.00 C ATOM 599 O LEU A 547 1.296 -1.274 -2.499 1.00 0.00 O ATOM 600 CB LEU A 547 2.223 -1.598 0.059 1.00 0.00 C ATOM 601 CG LEU A 547 3.228 -0.457 -0.126 1.00 0.00 C ATOM 602 CD1 LEU A 547 2.869 0.386 -1.342 1.00 0.00 C ATOM 603 CD2 LEU A 547 3.289 0.405 1.125 1.00 0.00 C ATOM 0 H LEU A 547 3.801 -4.104 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 547 1.660 -3.550 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.215 -1.189 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.331 -1.996 1.068 1.00 0.00 H new ATOM 0 HG LEU A 547 4.213 -0.892 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.596 1.190 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 547 2.879 -0.240 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.874 0.812 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 547 4.008 1.211 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 547 2.304 0.829 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 547 3.599 -0.206 1.973 1.00 0.00 H new ATOM 615 N MET A 548 2.512 -2.950 -3.358 1.00 0.00 N ATOM 616 CA MET A 548 2.247 -2.563 -4.740 1.00 0.00 C ATOM 617 C MET A 548 0.784 -2.766 -5.118 1.00 0.00 C ATOM 618 O MET A 548 0.473 -3.157 -6.244 1.00 0.00 O ATOM 619 CB MET A 548 3.126 -3.351 -5.698 1.00 0.00 C ATOM 620 CG MET A 548 4.574 -3.475 -5.247 1.00 0.00 C ATOM 621 SD MET A 548 5.135 -5.187 -5.161 1.00 0.00 S ATOM 622 CE MET A 548 4.513 -5.663 -3.550 1.00 0.00 C ATOM 0 H MET A 548 3.102 -3.775 -3.254 1.00 0.00 H new ATOM 0 HA MET A 548 2.479 -1.501 -4.820 1.00 0.00 H new ATOM 0 HB2 MET A 548 2.707 -4.350 -5.821 1.00 0.00 H new ATOM 0 HB3 MET A 548 3.100 -2.872 -6.677 1.00 0.00 H new ATOM 0 HG2 MET A 548 5.213 -2.922 -5.936 1.00 0.00 H new ATOM 0 HG3 MET A 548 4.686 -3.011 -4.267 1.00 0.00 H new ATOM 0 HE1 MET A 548 5.230 -6.324 -3.064 1.00 0.00 H new ATOM 0 HE2 MET A 548 4.368 -4.773 -2.938 1.00 0.00 H new ATOM 0 HE3 MET A 548 3.562 -6.182 -3.666 1.00 0.00 H new ATOM 632 N HIS A 549 -0.108 -2.474 -4.188 1.00 0.00 N ATOM 633 CA HIS A 549 -1.534 -2.598 -4.432 1.00 0.00 C ATOM 634 C HIS A 549 -2.174 -1.218 -4.412 1.00 0.00 C ATOM 635 O HIS A 549 -3.295 -1.034 -4.885 1.00 0.00 O ATOM 636 CB HIS A 549 -2.186 -3.497 -3.377 1.00 0.00 C ATOM 637 CG HIS A 549 -1.375 -4.707 -3.034 1.00 0.00 C ATOM 638 ND1 HIS A 549 -0.917 -4.971 -1.759 1.00 0.00 N ATOM 639 CD2 HIS A 549 -0.939 -5.732 -3.806 1.00 0.00 C ATOM 640 CE1 HIS A 549 -0.235 -6.103 -1.764 1.00 0.00 C ATOM 641 NE2 HIS A 549 -0.235 -6.583 -2.993 1.00 0.00 N ATOM 0 H HIS A 549 0.132 -2.148 -3.252 1.00 0.00 H new ATOM 0 HA HIS A 549 -1.687 -3.054 -5.410 1.00 0.00 H new ATOM 0 HB2 HIS A 549 -2.355 -2.915 -2.471 1.00 0.00 H new ATOM 0 HB3 HIS A 549 -3.164 -3.816 -3.738 1.00 0.00 H new ATOM 0 HD2 HIS A 549 -1.114 -5.856 -4.865 1.00 0.00 H new ATOM 0 HE1 HIS A 549 0.241 -6.558 -0.908 1.00 0.00 H new ATOM 0 HE2 HIS A 549 0.216 -7.448 -3.291 1.00 0.00 H new ATOM 650 N ASN A 550 -1.439 -0.249 -3.865 1.00 0.00 N ATOM 651 CA ASN A 550 -1.907 1.137 -3.775 1.00 0.00 C ATOM 652 C ASN A 550 -3.111 1.281 -2.837 1.00 0.00 C ATOM 653 O ASN A 550 -3.207 2.261 -2.101 1.00 0.00 O ATOM 654 CB ASN A 550 -2.249 1.673 -5.167 1.00 0.00 C ATOM 655 CG ASN A 550 -1.046 2.284 -5.862 1.00 0.00 C ATOM 656 OD1 ASN A 550 0.125 1.686 -5.665 1.00 0.00 O flip ATOM 657 ND2 ASN A 550 -1.167 3.285 -6.571 1.00 0.00 N flip ATOM 0 H ASN A 550 -0.509 -0.400 -3.474 1.00 0.00 H new ATOM 0 HA ASN A 550 -1.095 1.728 -3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -2.646 0.862 -5.778 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -3.036 2.423 -5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -2.084 3.714 -6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -0.350 3.685 -7.033 1.00 0.00 H new ATOM 664 N GLN A 551 -4.022 0.306 -2.871 1.00 0.00 N ATOM 665 CA GLN A 551 -5.217 0.314 -2.030 1.00 0.00 C ATOM 666 C GLN A 551 -6.339 1.110 -2.675 1.00 0.00 C ATOM 667 O GLN A 551 -6.174 2.274 -3.039 1.00 0.00 O ATOM 668 CB GLN A 551 -4.916 0.854 -0.633 1.00 0.00 C ATOM 669 CG GLN A 551 -3.675 0.242 -0.009 1.00 0.00 C ATOM 670 CD GLN A 551 -3.617 0.445 1.493 1.00 0.00 C ATOM 671 OE1 GLN A 551 -3.501 1.571 1.976 1.00 0.00 O ATOM 672 NE2 GLN A 551 -3.696 -0.650 2.241 1.00 0.00 N ATOM 0 H GLN A 551 -3.951 -0.508 -3.481 1.00 0.00 H new ATOM 0 HA GLN A 551 -5.545 -0.721 -1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 551 -4.791 1.935 -0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 551 -5.772 0.664 0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 551 -3.651 -0.825 -0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 551 -2.788 0.682 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 551 -3.792 -1.564 1.799 1.00 0.00 H new ATOM 0 HE22 GLN A 551 -3.661 -0.577 3.258 1.00 0.00 H new ATOM 681 N ASP A 552 -7.482 0.455 -2.810 1.00 0.00 N ATOM 682 CA ASP A 552 -8.660 1.064 -3.413 1.00 0.00 C ATOM 683 C ASP A 552 -9.939 0.356 -2.961 1.00 0.00 C ATOM 684 O ASP A 552 -10.707 -0.143 -3.785 1.00 0.00 O ATOM 685 CB ASP A 552 -8.552 1.023 -4.939 1.00 0.00 C ATOM 686 CG ASP A 552 -7.881 2.260 -5.503 1.00 0.00 C ATOM 687 OD1 ASP A 552 -8.222 3.377 -5.058 1.00 0.00 O ATOM 688 OD2 ASP A 552 -7.014 2.113 -6.390 1.00 0.00 O ATOM 0 H ASP A 552 -7.620 -0.509 -2.507 1.00 0.00 H new ATOM 0 HA ASP A 552 -8.710 2.102 -3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 552 -7.988 0.139 -5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 552 -9.549 0.925 -5.369 1.00 0.00 H new ATOM 693 N GLY A 553 -10.169 0.325 -1.649 1.00 0.00 N ATOM 694 CA GLY A 553 -11.359 -0.312 -1.118 1.00 0.00 C ATOM 695 C GLY A 553 -11.390 -1.805 -1.367 1.00 0.00 C ATOM 696 O GLY A 553 -12.417 -2.354 -1.766 1.00 0.00 O ATOM 0 H GLY A 553 -9.551 0.730 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 553 -11.416 -0.127 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 553 -12.241 0.145 -1.568 1.00 0.00 H new ATOM 700 N LEU A 554 -10.266 -2.467 -1.122 1.00 0.00 N ATOM 701 CA LEU A 554 -10.170 -3.908 -1.311 1.00 0.00 C ATOM 702 C LEU A 554 -10.434 -4.634 0.004 1.00 0.00 C ATOM 703 O LEU A 554 -10.902 -5.771 0.018 1.00 0.00 O ATOM 704 CB LEU A 554 -8.787 -4.285 -1.845 1.00 0.00 C ATOM 705 CG LEU A 554 -8.180 -3.294 -2.840 1.00 0.00 C ATOM 706 CD1 LEU A 554 -6.901 -3.859 -3.436 1.00 0.00 C ATOM 707 CD2 LEU A 554 -9.180 -2.956 -3.937 1.00 0.00 C ATOM 0 H LEU A 554 -9.407 -2.027 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 554 -10.923 -4.210 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 554 -8.106 -4.391 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 554 -8.854 -5.262 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 554 -7.936 -2.375 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -6.481 -3.142 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 554 -6.181 -4.048 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 554 -7.122 -4.792 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 554 -8.730 -2.250 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 554 -9.457 -3.866 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 554 -10.070 -2.510 -3.493 1.00 0.00 H new ATOM 719 N ILE A 555 -10.128 -3.958 1.107 1.00 0.00 N ATOM 720 CA ILE A 555 -10.327 -4.518 2.435 1.00 0.00 C ATOM 721 C ILE A 555 -11.624 -3.998 3.046 1.00 0.00 C ATOM 722 O ILE A 555 -12.344 -4.729 3.726 1.00 0.00 O ATOM 723 CB ILE A 555 -9.151 -4.165 3.370 1.00 0.00 C ATOM 724 CG1 ILE A 555 -7.814 -4.280 2.628 1.00 0.00 C ATOM 725 CG2 ILE A 555 -9.156 -5.065 4.594 1.00 0.00 C ATOM 726 CD1 ILE A 555 -7.086 -2.962 2.485 1.00 0.00 C ATOM 0 H ILE A 555 -9.739 -3.015 1.104 1.00 0.00 H new ATOM 0 HA ILE A 555 -10.382 -5.601 2.329 1.00 0.00 H new ATOM 0 HB ILE A 555 -9.274 -3.133 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -7.173 -4.984 3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -7.993 -4.696 1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -8.320 -4.802 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -10.092 -4.935 5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -9.060 -6.105 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -6.149 -3.120 1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 555 -7.708 -2.261 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -6.875 -2.554 3.473 1.00 0.00 H new ATOM 738 N CYS A 556 -11.908 -2.725 2.795 1.00 0.00 N ATOM 739 CA CYS A 556 -13.112 -2.083 3.310 1.00 0.00 C ATOM 740 C CYS A 556 -14.343 -2.481 2.503 1.00 0.00 C ATOM 741 O CYS A 556 -15.264 -3.107 3.025 1.00 0.00 O ATOM 742 CB CYS A 556 -12.945 -0.558 3.280 1.00 0.00 C ATOM 743 SG CYS A 556 -13.983 0.359 4.475 1.00 0.00 S ATOM 0 H CYS A 556 -11.316 -2.113 2.234 1.00 0.00 H new ATOM 0 HA CYS A 556 -13.257 -2.416 4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -11.899 -0.319 3.472 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.174 -0.202 2.275 1.00 0.00 H new ATOM 748 N GLY A 557 -14.354 -2.104 1.228 1.00 0.00 N ATOM 749 CA GLY A 557 -15.480 -2.422 0.371 1.00 0.00 C ATOM 750 C GLY A 557 -15.283 -3.710 -0.403 1.00 0.00 C ATOM 751 O GLY A 557 -16.250 -4.388 -0.749 1.00 0.00 O ATOM 0 H GLY A 557 -13.603 -1.584 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -16.382 -2.503 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -15.640 -1.603 -0.330 1.00 0.00 H new ATOM 755 N LEU A 558 -14.026 -4.052 -0.673 1.00 0.00 N ATOM 756 CA LEU A 558 -13.703 -5.271 -1.408 1.00 0.00 C ATOM 757 C LEU A 558 -14.221 -5.195 -2.838 1.00 0.00 C ATOM 758 O LEU A 558 -14.366 -6.216 -3.511 1.00 0.00 O ATOM 759 CB LEU A 558 -14.321 -6.480 -0.714 1.00 0.00 C ATOM 760 CG LEU A 558 -14.138 -6.519 0.804 1.00 0.00 C ATOM 761 CD1 LEU A 558 -15.362 -5.945 1.501 1.00 0.00 C ATOM 762 CD2 LEU A 558 -13.870 -7.940 1.275 1.00 0.00 C ATOM 0 H LEU A 558 -13.214 -3.502 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 558 -12.618 -5.374 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 558 -15.388 -6.502 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 558 -13.888 -7.385 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 558 -13.275 -5.906 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -15.216 -5.980 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -15.508 -4.911 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -16.241 -6.532 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -13.743 -7.947 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -14.712 -8.578 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -12.963 -8.316 0.801 1.00 0.00 H new ATOM 774 N ARG A 559 -14.520 -3.985 -3.288 1.00 0.00 N ATOM 775 CA ARG A 559 -15.048 -3.786 -4.631 1.00 0.00 C ATOM 776 C ARG A 559 -15.119 -2.305 -5.002 1.00 0.00 C ATOM 777 O ARG A 559 -15.866 -1.924 -5.903 1.00 0.00 O ATOM 778 CB ARG A 559 -16.442 -4.409 -4.726 1.00 0.00 C ATOM 779 CG ARG A 559 -17.175 -4.448 -3.391 1.00 0.00 C ATOM 780 CD ARG A 559 -18.656 -4.738 -3.575 1.00 0.00 C ATOM 781 NE ARG A 559 -18.967 -6.149 -3.363 1.00 0.00 N ATOM 782 CZ ARG A 559 -20.177 -6.675 -3.539 1.00 0.00 C ATOM 783 NH1 ARG A 559 -21.191 -5.911 -3.929 1.00 0.00 N ATOM 784 NH2 ARG A 559 -20.376 -7.968 -3.326 1.00 0.00 N ATOM 0 H ARG A 559 -14.407 -3.129 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 559 -14.370 -4.270 -5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -17.037 -3.844 -5.443 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -16.354 -5.424 -5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -16.730 -5.212 -2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -17.051 -3.494 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -19.234 -4.131 -2.878 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -18.960 -4.447 -4.580 1.00 0.00 H new ATOM 0 HE ARG A 559 -18.213 -6.767 -3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -21.045 -4.915 -4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -22.116 -6.320 -4.062 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -19.602 -8.561 -3.027 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -21.304 -8.370 -3.461 1.00 0.00 H new ATOM 798 N GLN A 560 -14.345 -1.471 -4.312 1.00 0.00 N ATOM 799 CA GLN A 560 -14.342 -0.039 -4.593 1.00 0.00 C ATOM 800 C GLN A 560 -13.429 0.279 -5.773 1.00 0.00 C ATOM 801 O GLN A 560 -12.976 -0.672 -6.444 1.00 0.00 O ATOM 802 CB GLN A 560 -13.896 0.754 -3.361 1.00 0.00 C ATOM 803 CG GLN A 560 -14.579 0.330 -2.066 1.00 0.00 C ATOM 804 CD GLN A 560 -16.054 0.010 -2.247 1.00 0.00 C ATOM 805 OE1 GLN A 560 -16.364 -1.271 -2.412 1.00 0.00 O flip ATOM 806 NE2 GLN A 560 -16.901 0.904 -2.236 1.00 0.00 N flip ATOM 807 OXT GLN A 560 -13.174 1.478 -6.017 1.00 0.00 O ATOM 0 H GLN A 560 -13.717 -1.759 -3.561 1.00 0.00 H new ATOM 0 HA GLN A 560 -15.360 0.254 -4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 560 -12.818 0.645 -3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 560 -14.092 1.812 -3.533 1.00 0.00 H new ATOM 0 HG2 GLN A 560 -14.070 -0.546 -1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 560 -14.474 1.126 -1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 560 -16.616 1.875 -2.106 1.00 0.00 H new ATOM 0 HE22 GLN A 560 -17.887 0.674 -2.357 1.00 0.00 H new TER 816 GLN A 560